C48h54N7PO8PPPO8P-Adenosine, N-Benzoyl-5- [I-4-Methoxyphenyl) Phenylmethyl] Phenylmethyl] Phenylmethyl] Phenylmethyl], 3-Cyanoethyl n, 0-Methyleethyl) Phosphor Amidite] (ACI)
Inombolo yokubhalisa ye-CAS
110782-31-5
H335, H331, H319, H315, H311, H311, H311 + + H311 + H331, H301
Izakhiwo ezisemqoka ezisemqoka | Thanda | Into efunekayo |
Isisindo molecular | 887.96 | - |
I-PKA (ebikezelwe) | 7.87 ± 0.43 | Iningi le-acid temp: 25 ° C |
Ukumamatheka kwe-canonical
N # CCCOP (OC1C (OC (N2C = NC = 3C (= NC = NC32) NC (CCC) C = C (OC) C = C (OC) C = C (C (C) n
I-Isomeric ukumamatheka
C (OC [C @@ H H] 1 [C @ c h (n h h) c) c (c @ c) [c4 (n = c2) = C4) n = c5 = cc = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7
Inchi
Inchi = 1s / c48hh54NN7O8P / C1-32 (2) 55 (31-28-14 (43 (43) 64-49) 54- 44-5 (4-40-5 (4-40 (41 (41) 54) 53-46 (5 6) 34-15-16-11-16-1-16-34) 29-60-48 (35-16-12-9-13-13-13-13-13-13-13-13-13-13-13-13-13-13-13-13, 37-5) 24-211-37) 36-21-37) 26-22-37) 26-22-37-37,15-26-31-33,15-26-3-33,15-26 2-43,47h, 14,28H2, (H, 50,51,53,56,56,56,56,56,56,56,56), 42-, 43-, 47-,, 64? / M1 / S1
Ukhiye we-inchi
AzcGotuyepxhmj-Psvhyzmasa-n
Amanye amagama ama-2 kule nto
I-Adenosine,N-Benzeyl-5 '-O- [BIS (4-MethoxyphenHenyl) Phenylmethyl] -2 '-O-Methyl-, 3 '- [2-Cyanoethyl BIS (1-methylethyl) phosphoramidite] (9ci); 5 '-O- (4,4 '-DimethoXytrityl) -N6-Benzoyl-2' -O-Methyladenosine 3 '- (2-CyanoethylN,N-Diisopropylphosphosphoramidite)
I-Spectra iyatholakala
13 c NMR
Hetero nmr
Okuninginingi
Izakhiwo zitholakala
Bitionalogical
Okuthakiweyo
Lipinski
Isakhiwo esihlobene
Impahla | Thanda | Into efunekayo | Umthombo |
Isici se-BioConCentration | 4050 | 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 | 1.00 x 106 | I-PH 3; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.00 x 106 | I-PH 4; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.00 x 106 | I-PH 5; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.00 x 106 | I-PH 6; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.00 x 106 | I-PH 7; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.00 x 106 | I-PH 8; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 2.10 x 105 | I-PH 9; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | I-60800 | ph 10; Temp: 25 ° C | (1) ACD |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
Impahla | Thanda | Into efunekayo | Umthombo |
Ibhola | Oku-19 | ph 1; Temp: 25 ° C | (1) ACD |
Ibhola | 48700 | I-PH 2; Temp: 25 ° C | (1) ACD |
Ibhola | 4.91 x 105 | I-PH 3; Temp: 25 ° C | (1) ACD |
Ibhola | 1.52 x 106 | I-PH 4; Temp: 25 ° C | (1) ACD |
Ibhola | 1.90 x 106 | I-PH 5; Temp: 25 ° C | (1) ACD |
Ibhola | 1.91 x 106 | I-PH 6; Temp: 25 ° C | (1) ACD |
Ibhola | 1.57 x 106 | I-PH 7; Temp: 25 ° C | (1) ACD |
Impahla | Thanda | Into efunekayo | Umthombo |
Ibhola | 5.78 x 105 | I-PH 8; Temp: 25 ° C | (1) ACD |
Ibhola | I-95000 | I-PH 9; Temp: 25 ° C | (1) ACD |
Ibhola | 27500 | ph 10; Temp: 25 ° C | (1) ACD |
into yokungena yogd | I-6.01 | ph 1; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 7.43 | I-PH 2; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 8.44 | I-PH 3; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 8.93 | I-PH 4; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 9.02 | I-PH 5; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 9.02 | I-PH 6; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 8.94 | I-PH 7; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 8.51 | I-PH 8; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 7.72 | I-PH 9; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 7.18 | ph 10; Temp: 25 ° C | (1) ACD |
ngena ngemvume | 9.038 ± 0.723 | Temp: 25 ° C | (1) ACD |
I-SAST ENTINSIC SOLUBLIC | 1.4 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 0.014 g / l | ph 1; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 5.3 x 10-4 g / l | I-PH 2; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 5.3 x 10-5 g / l | I-PH 3; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 1.7 x 10-5 g / l | I-PH 4; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 1.3 x 10-5 g / l | I-PH 5; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 1.3 x 10-5 g / l | I-PH 6; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 1.7 x 10-5 g / l | I-PH 7; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 4.5 x 10-5 g / l | I-PH 8; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 2.8 x 10-4 g / l | I-PH 9; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 9.8 x 10-4 g / l | ph 10; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 1.7 x 10-5 g / l | Amanzi angaphekiwe ph 6.99; Temp: 25 ° C | (1) ACD |
I-molar intrinsic soubility | 1.6 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Molar solility | 1.6 x 10-5 mol / l | ph 1; Temp: 25 ° C | (1) ACD |
Molar solility | 6.0 x 10-7 mol / l | I-PH 2; Temp: 25 ° C | (1) ACD |
Molar solility | 6.0 x 10-8 mol / l | I-PH 3; Temp: 25 ° C | (1) ACD |
Molar solility | 1.9 x 10-8 mol / l | I-PH 4; Temp: 25 ° C | (1) ACD |
Molar solility | 1.5 x 10-8 mol / l | I-PH 5; Temp: 25 ° C | (1) ACD |
Impahla | Thanda | Into efunekayo | Umthombo |
Molar solility | 1.5 x 10-8 mol / l | I-PH 6; Temp: 25 ° C | (1) ACD |
Molar solility | 1.9 x 10-8 mol / l | I-PH 7; Temp: 25 ° C | (1) ACD |
Molar solility | 5.1 x 10-8 mol / l | I-PH 8; Temp: 25 ° C | (1) ACD |
Molar solility | 3.1 x 10-7 mol / l | I-PH 9; Temp: 25 ° C | (1) ACD |
Molar solility | 1.1 x 10-6 mol / l | ph 10; Temp: 25 ° C | (1) ACD |
Molar solility | 1.9 x 10-8 mol / l | Amanzi angaphekiwe ph 6.99; Temp: 25 ° C | (1) ACD |
Isisindo molecular | 887.96 | ||
i-pka | 7.87 ± 0.43 | Iningi le-acid temp: 25 ° C | (1) ACD |
i-pka | 3.45 ± 0.70 | I-TEMP eyisisekelo Eyisisekelo: 25 ° C | (1) ACD |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
Impahla | Thanda | Into efunekayo | Umthombo |
Amabhondi ajikeleze ngokukhululeka | 19 | (1) ACD | |
Akwamukela | 15 | (1) ACD | |
H | 1 | (1) ACD | |
H Donor / ukwamukela inani | 16 | (1) ACD | |
ngena ngemvume | 9.038 ± 0.723 | Temp: 25 ° C | (1) ACD |
Isisindo molecular | 887.96 |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
Impahla | Thanda | Umthombo Wesimo |
Indawo yePolar Surface | 178 A2 A2 | (1) ACD |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
I-Spectra iyatholakala
1 h nmr
13 c NMR
Ukufingqwa | Isitatimende Sobungozi | Umthombo |
H335 | Kungadala ukucasuka okuphefumula | Isazi sakhula |
Ukufingqwa | Isitatimende Sobungozi | Umthombo |
H331 | Ubuthi uma u-inhalid | Isazi sakhula |
H319 | Kubangela ukucasuka okukhulu kwamehlo | Isazi sakhula |
H315 | Kubangela ukucasuka kwesikhumba | Isazi sakhula |
H311 | Ubuthi ekuxhumaneni nesikhumba | Isazi sakhula |
H301 + H311 + H331 | I-anobuthi uma iginya, ukuxhumana nesikhumba noma i-inhalid | Isazi sakhula |
H301 | Ubuthi uma bugwinya | Isazi sakhula |