![C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-(2-methoxyethyl)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-(2-methoxyethyl)- (9CI, ACI) Isithombe Esifakiwe](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine.jpg)
C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-(2-methoxyethyl)- (9CI, ACI)
| Izici Zomzimba Eziyinhloko | Inani | Isimo |
| Isisindo samangqamuzana | 731.79 | - |
| I-Melting Point (Eyokuhlola) | 119-121 °C | - |
| Ukuminyana (Kubikezelwe) | 1.31±0.1 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr |
| pKa (Kubikezelwe) | 7.87±0.43 | Izinga Le-Acidic Elikhulu: 25 °C |
I-Canonical AMAMOTHEKA O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6 )C(O)C3OCCOC)C=7C=CC=CC7
I-Isomeric SMILES
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C=3C(N=C2)=C(NC(=O)C4=CC =CC=C4)N=CN3)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C
=C6)C7=CC=CC=C7
I-InChI
I-InChI=1S/C41H41N5O8/c1-49-22-23-52-36-35(47)33(54-40(36)46-26-44-34-37(42-25-43-38(34) 46)45-39(48)27-10-6-4-7-11-27)24-53- 41(28-12-8-5-9-13-28,29-14-18-31( 50-2)19-15-29)30-16-20-32(51-3)21-17-30/h4-21,25-26,33,35-36,40,47H,22-24H2, 1-3H3, (H,42,43,45,48)/t33-,35-,36-,40-/m1/s1
Ukhiye we-InchI
KEVMXGNDTKPSMC-MUMPVVMASA-N
16 Amanye Amagama Alesi Sitho
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)adenosine (ACI); 17: PN: US20030211606 IKHASI: 19 ukulandelana okufunwayo; 18: PN: US20040005569 IKHASI: 22 okufunwa ukulandelana; 20: PN: US20040006030 IKHASI: 23 ukulandelana okufunwayo; 20: PN: US20040014047 IKHASI: 21 ukulandelana okufunwayo; 20: PN: US20040014049 IKHASI: 21 ukulandelana okufunwayo; 21: PN: US20040005570 PAG
E: 20 ukulandelana okufunwayo; 21: PN: US20040014048 IKHASI: 21 ukulandelana okufunwayo; 21: PN: US20040014050 IKHASI: 20 ukulandelana okufunwayo; 22: PN: US20040005565 IKHASI: 17- 22 okufunwa ukulandelana; 22: PN: US20040014051 IKHASI: 23 ukulandelana okufunwayo; 23: PN: US20040 014699 IKHASI: 20 okufunwa ukulandelana; 24: PN: US20040006029 IKHASI: 23 ukulandelana okufunwayo; 24: PN: WO03106645 IKHASI: 73 ukulandelana okufunwayo; 5′-Dimethoxytrityl-2′-O-(2-Methoxyethyl)-N6-benzoyl adenosine; 95: PN: US20040005707 IKHASI: 20 ukulandelana okufunwayo
| Izakhiwo ezitholakalayo |
| Okushisayo |
Okushisayo
| Impahla | Inani | Isimo | Umthombo |
| I-Melting Point | 119-121 °C | (1) I-CAS | |
(1) Penjarla, Srishylam; I-Nucleosides, Nucleotides & Nucleic Acids, (2018), 37(4), 232-247, CAplus
I-Spectra iyatholakala
1H NMR
13C NMR
| Izakhiwo ezitholakalayo |
| I-Biological |
| Amakhemikhali |
| Ukuminyana |
| I-Lipinski |
| Okuhlobene Nesakhiwo |
I-Biological
| Impahla | Inani | Isimo | Umthombo |
| I-Bioconcentration Factor | 31700 | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.08 x 105 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.43 x 105 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.48 x 105 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.48 x 105 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.45 x 105 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.19 x 105 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 43000 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 7050 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| I-Bioconcentration Factor | 2060 | 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 | 37400 | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 1.28 x 105 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 1.69 x 105 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 1.74 x 105 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 1.74 x 105 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 1.71 x 105 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 1.40 x 105 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 50700 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 8320 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 2430 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 6.44 | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 6.97 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 7.09 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 7.11 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 7.11 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 7.10 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 7.01 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 6.57 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 5.78 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 5.25 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| logP | 7.109±0.766 | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Intrinsic Solubility | 5.6 x 10-6 g/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 2.6 x 10-5 g/L | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 7.3 x 10-6 g/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 5.8 x 10-6 g/L | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 5.6 x 10-6 g/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 5.6 x 10-6 g/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 5.7 x 10-6 g/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 7.0 x 10-6 g/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| I-Mass Solubility | 1.9 x 10-5 g/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.2 x 10-4 g/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.0 x 10-4 g/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 7.0 x 10-6 g/L | Amanzi Angenabuffered pH 7.00; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 7.6 x 10-9 mol/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 3.6 x 10-8 mol/L | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.0 x 10-8 mol/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 7.9 x 10-9 mol/L | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 7.7 x 10-9 mol/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 7.7 x 10-9 mol/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 7.8 x 10-9 mol/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 9.6 x 10-9 mol/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.6 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 | 5.5 x 10-7 mol/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 9.5 x 10-9 mol/L | Amanzi Angenabuffered pH 7.00; Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 731.79 | ||
| pKa | 7.87±0.43 | Izinga Le-Acidic Elikhulu: 25 °C | (1) ACD |
| pKa | 1.39±0.10 | 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 | 1.31±0.1 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
| Ivolumu ye-Molar | 556.9±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 | 15 | (1) ACD | |
| H Abamukelayo | 13 | (1) ACD | |
| H Abanikeli | 2 | (1) ACD | |
| H Isamba Somnikeli/Umamukeli | 15 | (1) ACD | |
| Impahla | Inani | Isimo | Umthombo |
| logP | 7.109±0.766 | Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 731.79 |
(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 | 148a2 | (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
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