I-C38H37N3O8 Akukabelwa
| Izici Zomzimba Eziyinhloko | Inani | Isimo |
| Isisindo samangqamuzana | 663.72 | - |
| Ukuminyana (Kubikezelwe) | 1.304±0.06 g/cm3 | Izinga lokushisa: 20 °C;Cindezela: 760 Torr |
| pKa (Kubikezelwe) | 8.27±0.10 | Izinga Le-Acidic Elikhulu: 25 °C |
I-Canonical AMAMOTHEKA O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5 )C6=CC=C(OC)C=C6)C(O)C3
I-Isomeric SMILES
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC3=CC=CC=C3)=O)C(=O)NC2=O) (C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C 6
I-InChI
I-InChI=1S/C38H37N3O8/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47-) 2)20-16-28)48-24-33-32(42)21-34(49-33)4 1-23-31(36(44)40-37(41)45)35(43)39 -22-25-9-5-3-6-10-25/h3-20,23,32-34,42H,21-22,24H2,1-2H3,(H,39,43)(H,40 ,44,45)/t32-
,33+,34+/m0/s1
Ukhiye we-InchI
NZBGRVLZISPURB-LBFZIJHGSA-N
| Izakhiwo ezitholakalayo |
| I-Biological |
| Izakhiwo ezitholakalayo |
| Amakhemikhali |
| Ukuminyana |
| I-Lipinski |
| Okuhlobene Nesakhiwo |
I-Biological
| Impahla | Inani | Isimo | Umthombo |
| I-Bioconcentration Factor | 5250 | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 5250 | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 5260 | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 5260 | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 5250 | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 5200 | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 4720 | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 2460 | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 466 | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 96.9 | 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 | 16000 | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 16000 | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 16000 | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 16000 | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 16000 | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 15800 | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 14400 | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 7510 | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 1420 | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 296 | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 5.20 | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 5.20 | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 5.20 | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| logD | 5.20 | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 5.20 | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 5.19 | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 5.15 | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 4.87 | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 4.15 | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 3.46 | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
| logP | 5.198±0.644 | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Intrinsic Solubility | 9.3 x 10-6 g/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 9.3 x 10-6 g/L | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 9.3 x 10-6 g/L | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 9.3 x 10-6 g/L | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 9.3 x 10-6 g/L | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 9.3 x 10-6 g/L | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 9.3 x 10-6 g/L | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.1 x 10-5 g/L | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 2.0 x 10-5 g/L | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.1 x 10-4 g/L | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 5.1 x 10-4 g/L | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.1 x 10-5 g/L | Amanzi Angenabuffered pH 7.00;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 1.4 x 10-8 mol/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.4 x 10-8 mol/L | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.4 x 10-8 mol/L | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.4 x 10-8 mol/L | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.4 x 10-8 mol/L | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.4 x 10-8 mol/L | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.4 x 10-8 mol/L | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.6 x 10-8 mol/L | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 3.0 x 10-8 mol/L | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.6 x 10-7 mol/L | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 7.7 x 10-7 mol/L | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.6 x 10-8 mol/L | Amanzi Angenabuffered pH 7.00;Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| Isisindo samangqamuzana | 663.72 | ||
| pKa | 8.27±0.10 | Izinga Le-Acidic Elikhulu: 25 °C | (1) ACD |
| pKa | -1.66±0.20 | Izinga Lokushisa Eziyisisekelo: 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 | 1.304±0.06 g/cm3 | Izinga lokushisa: 20 °C;Cindezela: 760 Torr | (1) ACD |
| Ivolumu ye-Molar | 508.6±3.0 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 | 13 | (1) ACD | |
| H Abamukelayo | 11 | (1) ACD | |
| H Abaxhasi | 3 | (1) ACD | |
| H Isamba Somnikeli/Umamukeli | 14 | (1) ACD | |
| logP | 5.198±0.644 | Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 663.72 |
(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 | 136 A2 | (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
![C39H37N5O7 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C21H21N3O6 Thymidine, α – [(1-naphthalenylmethyl) amino]- α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)
![C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, H302](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano-300x300.jpg)
![C45H56N7O9P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)
![C53H66N7O8PSi INOMBOLO YE-CAS: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O- [(1,1-dimethylethyl)dimethylsilyl]-, 3′ [2-cyanoethyl N,N-bis(1- methylethyl)...](https://cdn.globalso.com/nvchem/C53H66N7O8PSi-300x300.png)