C41H41N5O8 Adenosine, N-Benzoyl-5'-O- [4-MetholyPenyl) Phenylmethyl] Phenylmethyl] Phenylmethyl] -2'- (2-Methoxyethyl) - (9ci, ACI)
Izakhiwo ezisemqoka ezisemqoka | Thanda | Into efunekayo |
Isisindo molecular | 731.79 | - |
Iphoyinti Lokuncibilika (Ukuhlola) | 119-121 ° C | - |
Ubuningi (obubikezelwe) | 1.31 ± 0.1 g / cm3 | I-Temp: 20 ° C; Cindezela: 760 Torr |
I-PKA (ebikezelwe) | 7.87 ± 0.43 | Iningi le-acid temp: 25 ° C |
Ukumamatheka kwe-canonical O = c (NC1 = NC = NC2 = C1N = CN2C3C3 (CC) C = C6) c (cc) c (cc) c (c5) c (c5) c = c6) c
I-Isomeric ukumamatheka
C (OC [C [C [H @ H] ([C @ H] (COCH] (c @ # nc (n = cc (c5) n = c5) (C6 = cc
= C6) C7 = CC = CC = C7
Inchi
Inchi = 1s / c41h41n5o8 / c1-49-22-23-52-36-35 (44-40 301-20-5-3-3-3-3-3-3-3-3-3-3-3-3-3-3-3-3-3-3-36,33,35-3,35-31,40,40h, 22-24H2,1-3HH3, (H, 42,43,45,45,45,45,45,4-45,4-40, 36-, 40- / M1 / S1
Ukhiye we-inchi
KevmxgndtkpsMc-mumpvvmasa-n
Amanye amagama angu-16 ale nto
N-benzoyl-5'-o- [BIS (4-MetholyPenyl) Phenylmethyl] Phenylmethyl] -2'-O- (2-Methoxyethyl) Adenosine (ACI); 17: PN: US2000030211606 IKHASI: 19 libekwe ukulandelana; Ikhasi le-18: PN: Us20040005569 Ikhasi: 22 bafuna ukulandelana; 20: PN: US20040006030 IKHASI: 23 bafuna ukulandelana; 20: PN: Us20040014047 Ikhasi: 21 bafuna ukulandelana; 20: PN: Us2004000014049 Ikhasi: 21 bafuna ukulandelana; 21: PN: US20040005570
E: 20 bafuna ukulandelana; 21: PN: Us20040014048 Ikhasi: 21 bafuna ukulandelana; 21: PN: US2000040014050 Ikhasi: Ukulandelana okumangalelwe; 22: PN: Us200400055565 IKHASINI: 17- 22 Ubefuna ukulandelana; 22: PN: Us20040014051 Ikhasi: 23 bafuna ukulandelana; 23: PN: Us2000040 014699 Ikhasi: 20 bafuna ukulandelana; 24: PN: Us20040006029 IKHASI: 23 bafuna ukulandelana; 24: PN: WO03106645 IKHASI: 73 bafuna ukulandelana; I-5'-dimethoxytrityl-2'-o- (2-methoxyethyl) -Ngo6-Benzoyl Adenosine; 95: PN: Us20040005707 Ikhasi: 20 bufuna ukulandelana
Izakhiwo zitholakala |
Impamba |
Impamba
Impahla | Thanda | Into efunekayo | Umthombo |
Iphuzu elincibilikayo | 119-121 ° C | (1) Cas |
(1) UPenjarla, Srishylam; I-nucleosides, ama-nucleotides nama-nucleoticis nama-nucleic acid, (2018), 37 (4), 232-247, Caplus
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 | 31700 | ph 1; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | I-1.08 x 105 | I-PH 2; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.43 x 105 | I-PH 3; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.48 x 105 | I-PH 4; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.48 x 105 | I-PH 5; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.45 x 105 | I-PH 6; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.19 x 105 | I-PH 7; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | I-43000 | I-PH 8; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | I-7050 | I-PH 9; Temp: 25 ° C | (1) ACD |
Impahla | Thanda | Into efunekayo | Umthombo |
Isici se-BioConCentration | I-2060 | 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 | I-37400 | ph 1; Temp: 25 ° C | (1) ACD |
Ibhola | 1.28 x 105 | I-PH 2; Temp: 25 ° C | (1) ACD |
Ibhola | 1.69 x 105 | I-PH 3; Temp: 25 ° C | (1) ACD |
Ibhola | 1.74 x 105 | I-PH 4; Temp: 25 ° C | (1) ACD |
Ibhola | 1.74 x 105 | I-PH 5; Temp: 25 ° C | (1) ACD |
Ibhola | 1.71 x 105 | I-PH 6; Temp: 25 ° C | (1) ACD |
Ibhola | 1.40 x 105 | I-PH 7; Temp: 25 ° C | (1) ACD |
Ibhola | I-50700 | I-PH 8; Temp: 25 ° C | (1) ACD |
Ibhola | I-8320 | I-PH 9; Temp: 25 ° C | (1) ACD |
Ibhola | Okungama-24 | ph 10; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 6.44 | ph 1; Temp: 25 ° C | (1) ACD |
into yokungena yogd | I-6.97 | I-PH 2; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 7.09 | I-PH 3; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 7.11 | I-PH 4; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 7.11 | I-PH 5; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 7.10 | I-PH 6; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 7.011 | I-PH 7; Temp: 25 ° C | (1) ACD |
into yokungena yogd | I-6.57 | I-PH 8; Temp: 25 ° C | (1) ACD |
into yokungena yogd | I-5.78 | I-PH 9; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 5.25 | ph 10; Temp: 25 ° C | (1) ACD |
ngena ngemvume | 7.109 ± 0.766 | Temp: 25 ° C | (1) ACD |
I-SAST ENTINSIC SOLUBLIC | 5.6 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 2.6 x 10-5 g / l | ph 1; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 7.3 x 10-6 g / l | I-PH 2; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 5.8 x 10-6 g / l | I-PH 3; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 5.6 x 10-6 g / l | I-PH 4; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 5.6 x 10-6 g / l | I-PH 5; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 5.7 x 10-6 g / l | I-PH 6; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 7.0 x 10-6 g / l | I-PH 7; Temp: 25 ° C | (1) ACD |
Impahla | Thanda | Into efunekayo | Umthombo |
Inqwaba ye-solubility | 1.9 x 10-5 g / l | I-PH 8; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 1.2 x 10-4 g / l | I-PH 9; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 4.0 x 10-4 g / l | ph 10; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 7.0 x 10-6 g / l | Amanzi angafakwanga i-PH 7.00; Temp: 25 ° C | (1) ACD |
I-molar intrinsic soubility | 7.6 x 10-9 mol / l | Temp: 25 ° C | (1) ACD |
Molar solility | 3.6 x 10-8 mol / l | ph 1; Temp: 25 ° C | (1) ACD |
Molar solility | 1.0 x 10-8 mol / l | I-PH 2; Temp: 25 ° C | (1) ACD |
Molar solility | 7.9 x 10-9 mol / l | I-PH 3; Temp: 25 ° C | (1) ACD |
Molar solility | 7.7 x 10-9 mol / l | I-PH 4; Temp: 25 ° C | (1) ACD |
Molar solility | 7.7 x 10-9 mol / l | I-PH 5; Temp: 25 ° C | (1) ACD |
Molar solility | 7.8 x 10-9 mol / l | I-PH 6; Temp: 25 ° C | (1) ACD |
Molar solility | 9.6 x 10-9 mol / l | I-PH 7; Temp: 25 ° C | (1) ACD |
Molar solility | 2.6 x 10-8 mol / l | I-PH 8; Temp: 25 ° C | (1) ACD |
Molar solility | 1.6 x 10-7 mol / l | I-PH 9; Temp: 25 ° C | (1) ACD |
Molar solility | 5.5 x 10-7 mol / l | ph 10; Temp: 25 ° C | (1) ACD |
Molar solility | 9.5 x 10-9 mol / l | Amanzi angafakwanga i-PH 7.00; Temp: 25 ° C | (1) ACD |
Isisindo molecular | 731.79 | ||
i-pka | 7.87 ± 0.43 | Iningi le-acid temp: 25 ° C | (1) ACD |
i-pka | 1.39 ± 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 | 1.31 ± 0.1 g / cm3 | I-Temp: 20 ° C; Cindezela: 760 Torr | (1) ACD |
Ivolumu ye-motal | 556.9 ± 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 | 15 | (1) ACD | |
Akwamukela | 13 | (1) ACD | |
H | 2 | (1) ACD | |
H Donor / ukwamukela inani | 15 | (1) ACD | |
Impahla | Thanda | Into efunekayo | Umthombo |
ngena ngemvume | 7.109 ± 0.766 | Temp: 25 ° C | (1) ACD |
Isisindo molecular | 731.79 |
(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 | 148 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