![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI) Isithombe Esifakiwe](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)
| Izici Zomzimba Eziyinhloko | Inani | Isimo |
| Isisindo samangqamuzana | 528.55 | - |
| I-Melting Point (Eyokuhlola) | 129.5-130 °C | - |
| Iphoyinti lokubilisa (elibikezelwe) | 688.2±65.0 °C | Cindezela: 760 Torr |
| Ukuminyana (Kubikezelwe) | 1.35±0.1 g/cm3 | Izinga lokushisa: 20 °C;Cindezela: 760 Torr |
| pKa (Kubikezelwe) | 12.51±0.40 | Izinga Le-Acidic Elikhulu: 25 °C |
I-Canonical AMAMOTHEKA O=C1N=C2OC3C(O)C(OC3N2C=C1)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
I-Isomeric SMILES C(OC[C@H]1O[C@]2([C@]([C@@H]1O)(OC=3N2C=CC(=O)N3)[H])[H] )(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
I-InChI
I-InChI=1S/C30H28N2O7/c1-35-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(36-) 2)15-11-21)37-18-24-26(34)27-28(38-24)32-17- 16-25(33)31-29(32)39-27/h3-17, 24,26-28,34H,18H2,1-2H3/t24-,26-,27+,28-/m1/s1
Ukhiye we-InchI
OEIRLWHCGAICDW-AOGFTHLWSA-N
2 Amanye Amagama Alesi Sitho
(2R,3R,3aS,9aR)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-6H-furo[2′,3′:4 ,5]oxazolo[3,2-a] pyrimidin-6-one (ACI);6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a -
i-tetrahydro-3-hydroxy-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI)
| Izakhiwo ezitholakalayo |
| Okushisayo |
Okushisayo
| Impahla | Inani | Isimo | Umthombo |
| I-Melting Point | 129.5-130 °C | (1) I-CAS | |
(1) Szlenkier, Maurycy;I-Nucleosides, Nucleotides & Nucleic Acids, (2016), 35(8), 410-425, CAplus
| I-Spectra iyatholakala |
| 1H NMR |
| 13C NMR |
| IR |
| IMisa |
Izakhiwo Ezibikezelwe
| Izakhiwo ezitholakalayo |
| I-Biological |
| Amakhemikhali |
| Ukuminyana |
| I-Lipinski |
| Okuhlobene Nesakhiwo |
| Okushisayo |
I-Biological
| Impahla | Inani | Isimo | Umthombo |
| I-Bioconcentration Factor | 1360 | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1360 | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1360 | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1360 | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1360 | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1360 | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1360 | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| I-Bioconcentration Factor | 1360 | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1360 | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1350 | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Amakhemikhali
| Impahla | Inani | Isimo | Umthombo |
| Koc | 6080 | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 6080 | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 6080 | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 6080 | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 6080 | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 6080 | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 6080 | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 6080 | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 6070 | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 6060 | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 4.42 | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 4.42 | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 4.42 | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 4.42 | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 4.42 | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 4.42 | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 4.42 | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 4.42 | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 4.42 | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 4.42 | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
| logP | 4.424±0.618 | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Intrinsic Solubility | 5.8 x 10-4 g/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 5.8 x 10-4 g/L | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 5.8 x 10-4 g/L | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 5.8 x 10-4 g/L | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 5.8 x 10-4 g/L | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 5.8 x 10-4 g/L | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| I-Mass Solubility | 5.8 x 10-4 g/L | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 5.8 x 10-4 g/L | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 5.8 x 10-4 g/L | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 5.8 x 10-4 g/L | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 5.8 x 10-4 g/L | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 5.8 x 10-4 g/L | Amanzi Angenabuffered pH 7.00;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 1.1 x 10-6 mol/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.1 x 10-6 mol/L | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.1 x 10-6 mol/L | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.1 x 10-6 mol/L | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.1 x 10-6 mol/L | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.1 x 10-6 mol/L | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.1 x 10-6 mol/L | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.1 x 10-6 mol/L | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.1 x 10-6 mol/L | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.1 x 10-6 mol/L | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.1 x 10-6 mol/L | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.1 x 10-6 mol/L | Amanzi Angenabuffered pH 7.00;Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 528.55 | ||
| pKa | 12.51±0.40 | Izinga Le-Acidic Elikhulu: 25 °C | (1) ACD |
| pKa | -4.70±0.60 | Izinga Lokushisa Eziyisisekelo: 25 °C | (1) ACD |
| I-Vapor Pressure | 6.91 x 10-20 Torr | Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ukuminyana
| Impahla | Inani | Isimo | Umthombo |
| Ukuminyana | 1.35±0.1 g/cm3 | Izinga lokushisa: 20 °C;Cindezela: 760 Torr | (1) ACD |
| Ivolumu ye-Molar | 389.8±7.0 cm3/mol | Izinga lokushisa: 20 °C;Cindezela: 760 Torr | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Lipinski
| Impahla | Inani | Isimo | Umthombo |
| Amabhondi Ashintshashintshayo Ngokukhululekile | 9 | (1) ACD | |
| Impahla | Inani | Isimo | Umthombo |
| H Abamukelayo | 9 | (1) ACD | |
| H Abaxhasi | 1 | (1) ACD | |
| H Isamba Somnikeli/Umamukeli | 10 | (1) ACD | |
| logP | 4.424±0.618 | Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 528.55 |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Okuhlobene Nesakhiwo
| Impahla | Inani | Isimo | Umthombo |
| Indawo ye-Polar Surface | 99.1 A2 | (1) ACD | |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Okushisayo
| Impahla | Inani | Isimo | Umthombo |
| Iphuzu elibilayo | 688.2±65.0 °C | Cindezela: 760 Torr | (1) ACD |
| I-Enthalpy ye-Vaporization | 105.96±3.0 kJ/mol | Cindezela: 760 Torr | (1) ACD |
| I-Flash Point | 370.0±34.3 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Spectra iyatholakala
1H NMR
13C NMR
![C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine-300x300.jpg)
![118 Re36H44N2O8Si Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine-300x300.jpg)
![C42H52N5O9P Cytidine, N-acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] ( I-ACI)](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine-300x300.png)
![C17H19N3O6 Thymidine, α -oxo- α - [(phenylmethyl)amino]- (ACI)](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine-300x300.png)
![C41H51N5O8Si Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)- (9CI, ACI )](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine-300x300.jpg)