I-C39hh37NN5o7 Adenosine, N-Benzoyl-5'-O- [4-MetholyPhenyl) Phenylmethyl] Phenylmethyl] Phenylmethyl] Phenylmethyl] Phenylmethyl] Phenylmethyl]
Izakhiwo ezisemqoka ezisemqoka | Thanda | Into efunekayo |
Isisindo molecular | I-687.74 | - |
Ubuningi (obubikezelwe) | 1.32 ± 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 (C5) C = C6) C = C6) C (C6 = c
I-Isomeric ukumamatheka
C (OC [C [C [H @ H] ([C @ H] (c @@ HE 3Co) N2C (NC (CC (NC) c = c6) c = c6) C = C7
Inchi
Inchi = 1s / c39hh37NN5O7 / C1-47-29-19-16-16-29) 39 (26-19-29 (48-27-3-3-16-28-3-33 (45-3) 38 (51-3- 31-24-42-32-35 (40-23-41-36 (32) 44) 43-37 (46) 25-10-37 (46) 25-16
34-, 38- / m1 / s1
Ukhiye we-inchi
Sarhdaqoznknknkccccc-cjegosrcsa-n
1 elinye igama lale nto
N-Benzoyl-5'-o- [BIS (4-MethoxyphenHenyl) Phenylmethyl] -2'-O-O-Methyladenosine (ACI)
I-Spectra iyatholakala
1h NMR
I-13c NMR
Okuninginingi
Izakhiwo zitholakala
Bitionalogical
Okuthakiweyo
Incekusana
Lipinski
Isakhiwo esihlobene
Bitionalogical
Impahla | Thanda | Into efunekayo | Umthombo |
Isici se-BioConCentration | 47800 | ph 1; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.63 x 105 | I-PH 2; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 2.16 x 105 | I-PH 3; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 2.23 x 105 | I-PH 4; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 2.23 x 105 | I-PH 5; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 2.18 x 105 | I-PH 6; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.79 x 105 | I-PH 7; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | I-64900 | I-PH 8; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | I-10600 | I-PH 9; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 3110 | 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-50200 | ph 1; Temp: 25 ° C | (1) ACD |
Ibhola | 1.71 x 105 | I-PH 2; Temp: 25 ° C | (1) ACD |
Ibhola | 2.26 x 105 | I-PH 3; Temp: 25 ° C | (1) ACD |
Ibhola | 2.34 x 105 | I-PH 4; Temp: 25 ° C | (1) ACD |
Ibhola | 2.34 x 105 | I-PH 5; Temp: 25 ° C | (1) ACD |
Ibhola | 2.29 x 105 | I-PH 6; Temp: 25 ° C | (1) ACD |
Ibhola | 1.88 x 105 | I-PH 7; Temp: 25 ° C | (1) ACD |
Impahla | Thanda | Into efunekayo | Umthombo |
Ibhola | I-68000 | I-PH 8; Temp: 25 ° C | (1) ACD |
Ibhola | 11200 | I-PH 9; Temp: 25 ° C | (1) ACD |
Ibhola | I-3260 | ph 10; Temp: 25 ° C | (1) ACD |
into yokungena yogd | I-6.67 | ph 1; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 7.21 | I-PH 2; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 7.33 | I-PH 3; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 7.34 | I-PH 4; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 7.34 | I-PH 5; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 7.33 | I-PH 6; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 7.25 | I-PH 7; Temp: 25 ° C | (1) ACD |
into yokungena yogd | I-6.80 | I-PH 8; Temp: 25 ° C | (1) ACD |
into yokungena yogd | I-6.02 | I-PH 9; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 5.49 | ph 10; Temp: 25 ° C | (1) ACD |
ngena ngemvume | 7.344 ± 0.723 | Temp: 25 ° C | (1) ACD |
I-SAST ENTINSIC SOLUBLIC | 2.7 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 1.2 x 10-5 g / l | ph 1; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 3.7 x 10-6 g / l | I-PH 2; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 2.8 x 10-6 g / l | I-PH 3; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 2.8 x 10-6 g / l | I-PH 4; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 2.8 x 10-6 g / l | I-PH 5; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 2.8 x 10-6 g / l | I-PH 6; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 3.4 x 10-6 g / l | I-PH 7; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 9.6 x 10-6 g / l | I-PH 8; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 5.7 x 10-5 g / l | I-PH 9; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 1.9 x 10-4 g / l | ph 10; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 3.4 x 10-6 g / l | Amanzi angafakwanga i-PH 7.00; Temp: 25 ° C | (1) ACD |
I-molar intrinsic soubility | 3.9 x 10-9 mol / l | Temp: 25 ° C | (1) ACD |
Molar solility | 1.8 x 10-8 mol / l | ph 1; Temp: 25 ° C | (1) ACD |
Molar solility | 5.4 x 10-9 mol / l | I-PH 2; Temp: 25 ° C | (1) ACD |
Molar solility | 4.1 x 10-9 mol / l | I-PH 3; Temp: 25 ° C | (1) ACD |
Molar solility | 4.0 x 10-9 mol / l | I-PH 4; Temp: 25 ° C | (1) ACD |
Molar solility | 4.0 x 10-9 mol / l | I-PH 5; Temp: 25 ° C | (1) ACD |
Impahla | Thanda | Into efunekayo | Umthombo |
Molar solility | 4.0 x 10-9 mol / l | I-PH 6; Temp: 25 ° C | (1) ACD |
Molar solility | 4.9 x 10-9 mol / l | I-PH 7; Temp: 25 ° C | (1) ACD |
Molar solility | 1.4 x 10-8 mol / l | I-PH 8; Temp: 25 ° C | (1) ACD |
Molar solility | 8.3 x 10-8 mol / l | I-PH 9; Temp: 25 ° C | (1) ACD |
Molar solility | 2.8 x 10-7 mol / l | ph 10; Temp: 25 ° C | (1) ACD |
Molar solility | 4.9 x 10-9 mol / l | Amanzi angafakwanga i-PH 7.00; Temp: 25 ° C | (1) ACD |
Isisindo molecular | I-687.74 | ||
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 | 1.32 ± 0.1 g / cm3 | I-Temp: 20 ° C; Cindezela: 760 Torr | (1) ACD |
Ivolumu ye-motal | 518.5 ± 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 | 12 | (1) ACD | |
Akwamukela | 12 | (1) ACD | |
H | 2 | (1) ACD | |
H Donor / ukwamukela inani | 14 | (1) ACD | |
ngena ngemvume | 7.344 ± 0.723 | Temp: 25 ° C | (1) ACD |
Isisindo molecular | I-687.74 |
(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 | 139 A2 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-Spectra iyatholakala
I-13c NMR