C20h23N5o6 Adenosine, N-Benzoyl-2'-O- (2-Methoxyethyl) - (9ci, ACI)
| Izakhiwo ezisemqoka ezisemqoka | Thanda | Into efunekayo |
| Isisindo molecular | 429.43 | - |
| Ubuningi (obubikezelwe) | 1.53 ± 0.1 g / cm3 | I-Temp: 20 ° C; Cindezela: 760 Torr |
| I-PKA (ebikezelwe) | 13.15 ± 0.70 | Iningi le-acid temp: 25 ° C |
Ukumamatheka kwe-canonical O = C (NC1 = NC = NC2 = C1N = CN2C3OC (Co) c (o) c3occoc) C = 4C = cc
I-Isomeric Smiles O (CCOC) [C @ H] 1 [C @ c h h] (o [c @ c h] [c @ c h h] [c @ c @ 3c
Inchi
Inchi = 1s / C20h23N5O6 / C1-29-7-7-8-30-16-15 (21-10-2) 25-11-23) 24-5-2-2-2-2-4-6-12 / H2-2-6-16-16 (T1.12,15-16, 16-9h2.1h, 20-, 1 / M1 / S1
Ukhiye we-inchi
Rufjmcsvnngngngff-Khyjdqrsa-n
Amanye amagama ama-2 kule nto
N-benzoyl-2'-o- (2-methoxyethyl) i-adenosine (ACI); N6-benzoyl-2'-o- (2-methoxyethyl) i-adenosine
I-Spectra iyatholakala
1h NMR
I-13c NMR
| Izakhiwo zitholakala |
| Bitionalogical |
| Okuthakiweyo |
| Incekusana |
| Lipinski |
| Isakhiwo esihlobene |
Bitionalogical
| Impahla | Thanda | Into efunekayo | Umthombo |
| Isici se-BioConCentration | 3.71 | ph 1; Temp: 25 ° C | (1) ACD |
| Isici se-BioConCentration | 14.6 | I-PH 2; Temp: 25 ° C | (1) ACD |
| Isici se-BioConCentration | 20.9 | I-PH 3; Temp: 25 ° C | (1) ACD |
| Isici se-BioConCentration | 21.8 | I-PH 4; Temp: 25 ° C | (1) ACD |
| Isici se-BioConCentration | 21.9 | I-PH 5; Temp: 25 ° C | (1) ACD |
| Isici se-BioConCentration | 21.8 | I-PH 6; Temp: 25 ° C | (1) ACD |
| Isici se-BioConCentration | 21.4 | I-PH 7; Temp: 25 ° C | (1) ACD |
| Isici se-BioConCentration | 17.6 | I-PH 8; Temp: 25 ° C | (1) ACD |
| Isici se-BioConCentration | I-6.52 | I-PH 9; Temp: 25 ° C | (1) ACD |
| Isici se-BioConCentration | I-1.08 | ph 10; Temp: 25 ° C | (1) ACD |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
Okuthakiweyo
| Impahla | Thanda | Into efunekayo | Umthombo |
| Ibhola | 53.2 | ph 1; Temp: 25 ° C | (1) ACD |
| Ibhola | 210 | I-PH 2; Temp: 25 ° C | (1) ACD |
| Ibhola | 299 | I-PH 3; Temp: 25 ° C | (1) ACD |
| Ibhola | 312 | I-PH 4; Temp: 25 ° C | (1) ACD |
| Ibhola | 314 | I-PH 5; Temp: 25 ° C | (1) ACD |
| Ibhola | 313 | I-PH 6; Temp: 25 ° C | (1) ACD |
| Ibhola | I-306 | I-PH 7; Temp: 25 ° C | (1) ACD |
| Ibhola | 253 | I-PH 8; Temp: 25 ° C | (1) ACD |
| Impahla | Thanda | Into efunekayo | Umthombo |
| Ibhola | 93.5 | I-PH 9; Temp: 25 ° C | (1) ACD |
| Ibhola | 15.5 | ph 10; Temp: 25 ° C | (1) ACD |
| into yokungena yogd | 1.30 | ph 1; Temp: 25 ° C | (1) ACD |
| into yokungena yogd | I-1.90 | I-PH 2; Temp: 25 ° C | (1) ACD |
| into yokungena yogd | I-2.05 | I-PH 3; Temp: 25 ° C | (1) ACD |
| into yokungena yogd | I-2.07 | I-PH 4; Temp: 25 ° C | (1) ACD |
| into yokungena yogd | I-2.07 | I-PH 5; Temp: 25 ° C | (1) ACD |
| into yokungena yogd | I-2.07 | I-PH 6; Temp: 25 ° C | (1) ACD |
| into yokungena yogd | I-2.06 | I-PH 7; Temp: 25 ° C | (1) ACD |
| into yokungena yogd | 1.98 | I-PH 8; Temp: 25 ° C | (1) ACD |
| into yokungena yogd | 1.54 | I-PH 9; Temp: 25 ° C | (1) ACD |
| into yokungena yogd | 0.76 | ph 10; Temp: 25 ° C | (1) ACD |
| ngena ngemvume | 2.085 ± 0.689 | Temp: 25 ° C | (1) ACD |
| I-SAST ENTINSIC SOLUBLIC | 0.030 g / l | Temp: 25 ° C | (1) ACD |
| Inqwaba ye-solubility | 0.17 g / l | ph 1; Temp: 25 ° C | (1) ACD |
| Inqwaba ye-solubility | 0.0429 g / l | I-PH 2; Temp: 25 ° C | (1) ACD |
| Inqwaba ye-solubility | 0.030 g / l | I-PH 3; Temp: 25 ° C | (1) ACD |
| Inqwaba ye-solubility | 0.029 g / l | I-PH 4; Temp: 25 ° C | (1) ACD |
| Inqwaba ye-solubility | 0.029 g / l | I-PH 5; Temp: 25 ° C | (1) ACD |
| Inqwaba ye-solubility | 0.029 g / l | I-PH 6; Temp: 25 ° C | (1) ACD |
| Inqwaba ye-solubility | 0.029 g / l | I-PH 7; Temp: 25 ° C | (1) ACD |
| Inqwaba ye-solubility | 0.036 g / l | I-PH 8; Temp: 25 ° C | (1) ACD |
| Inqwaba ye-solubility | 0.094 g / l | I-PH 9; Temp: 25 ° C | (1) ACD |
| Inqwaba ye-solubility | 0.60 g / l | ph 10; Temp: 25 ° C | (1) ACD |
| Inqwaba ye-solubility | 0.029 g / l | I-PH engaphekiwe PH 6.38; Temp: 25 ° C | (1) ACD |
| I-molar intrinsic soubility | 7.0 x 10-5 mol / l | Temp: 25 ° C | (1) ACD |
| Molar solility | 3.9 x 10-4 mol / l | ph 1; Temp: 25 ° C | (1) ACD |
| Molar solility | 1.00 x 10-4 mol / l | I-PH 2; Temp: 25 ° C | (1) ACD |
| Molar solility | 7.0 x 10-5 mol / l | I-PH 3; Temp: 25 ° C | (1) ACD |
| Molar solility | 6.7 x 10-5 mol / l | I-PH 4; Temp: 25 ° C | (1) ACD |
| Molar solility | 6.7 x 10-5 mol / l | I-PH 5; Temp: 25 ° C | (1) ACD |
| Molar solility | 6.7 x 10-5 mol / l | I-PH 6; Temp: 25 ° C | (1) ACD |
| Impahla | Thanda | Into efunekayo | Umthombo |
| Molar solility | 6.8 x 10-5 mol / l | I-PH 7; Temp: 25 ° C | (1) ACD |
| Molar solility | 8.3 x 10-5 mol / l | I-PH 8; Temp: 25 ° C | (1) ACD |
| Molar solility | 2.2 x 10-4 mol / l | I-PH 9; Temp: 25 ° C | (1) ACD |
| Molar solility | 1.4 x 10-3 mol / l | ph 10; Temp: 25 ° C | (1) ACD |
| Molar solility | 6.7 x 10-5 mol / l | I-PH engaphekiwe PH 6.38; Temp: 25 ° C | (1) ACD |
| Isisindo molecular | 429.43 | ||
| i-pka | 13.15 ± 0.70 | Iningi le-acid temp: 25 ° C | (1) ACD |
| i-pka | 8.80 ± 0.10 | I-TEMP eyisisekelo Eyisisekelo: 25 ° C | (1) ACD |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
Incekusana
| Impahla | Thanda | Into efunekayo | Umthombo |
| Incekusana | 1.53 ± 0.1 g / cm3 | I-Temp: 20 ° C; Cindezela: 760 Torr | (1) ACD |
| Ivolumu ye-motal | I-280.3 ± 7.0 CM3 / Mol | I-Temp: 20 ° C; Cindezela: 760 Torr | (1) ACD |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
Lipinski
| Impahla | Thanda | Into efunekayo | Umthombo |
| Amabhondi ajikeleze ngokukhululeka | 9 | (1) ACD | |
| Akwamukela | 11 | (1) ACD | |
| H | 3 | (1) ACD | |
| H Donor / ukwamukela inani | 14 | (1) ACD | |
| ngena ngemvume | 2.085 ± 0.689 | Temp: 25 ° C | (1) ACD |
| Isisindo molecular | 429.43 |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
Isakhiwo esihlobene
| Impahla | Thanda | Into efunekayo | Umthombo |
| Indawo yePolar Surface | 141 A2 | (1) ACD | |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
I-Spectra iyatholakala
1h NMR
I-13c NMR
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