C48H54N7O8P Adenosine, N-Benzoyl-5 ′ -o- [bis (4-methoxyphenyl) phenylmethyl] -2 ′-o-methyl-, 3 ′-[2-cyanoethyl n, n-bis (1-methylthyl) ffosffor
Rhif Cofrestrfa CAS
110782-31-5
H335, H331, H319, H315, H311, H301+H311+H331, H301
Priodweddau Ffisegol Allweddol | Gwerthfawrogom | Cyflyrasoch |
Pwysau moleciwlaidd | 887.96 | - |
PKA (a ragwelir) | 7.87 ± 0.43 | Mwyaf Temp Asidig: 25 ° C. |
Gwenau canonaidd
N#CCCOP (OC1C (OC (N2C = NC = 3C (= NC = NC32) NC (= O) C = 4C = CC = CC4) C1OC) COC (C = 5C = CC = CC5) (C6 = C6 = CC = C) = C) = C) C6 C6) (C6 C6) (C
Gwenau isomerig
C (OC [C @@ H] 1 [c @@ H] (op (n (c (c) c) c (c) c) occc#n) [c @@ h] (oc) [c @@ h] (o1) n2c = 3c (n = c2) = c (c (nc (= o) c4 = c1 = cn3) C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7
Inchi
Inchi = 1S/C48H54N7O8P/C1-32 (2) 55 (33 (3) 4) 64 (61-28-14-27-49) 63-42-40 (62-47 (43 (42) 59-7) 54) 54-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41. 6) 34-15-10-8-11-16-34) 29-60-48 (35-17-12-9-13-18-35,36-19-23-38 (57-5) 24-20-36) 37-21-25-30 (58-6) 26-22-33, 2-43,47H, 14,28-29H2,1-7H3, (H, 50,51,53,56)/T40-, 42-, 43-, 47-, 64?/M1/S1
Allwedd inchi
AzcgotuyepxHMj-ppsvhyzmasa-n
2 enw arall ar gyfer y sylwedd hwn
Adenosine,N-Benzoyl -5 ′ -O-[bis (4-methoxyphenyl) 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-diisopropylphosphoramidite)
Sbectra ar gael
13 C NMR
Hetero nmr
Torfol
Eiddo ar gael
Biolegol
Gemegol
Lipinski
Strwythur yn gysylltiedig
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Ffactor Bio -ganolbwynt | 4050 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.08 x 105 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.00 x 106 | Ph 3; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.00 x 106 | Ph 4; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.00 x 106 | Ph 5; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.00 x 106 | Ph 6; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.00 x 106 | Ph 7; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.00 x 106 | Ph 8; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 2.10 x 105 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 60800 | Ph 10; TEMP: 25 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Koc | 1830 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Koc | 48700 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Koc | 4.91 x 105 | Ph 3; TEMP: 25 ° C. | (1) ACD |
Koc | 1.52 x 106 | Ph 4; TEMP: 25 ° C. | (1) ACD |
Koc | 1.90 x 106 | Ph 5; TEMP: 25 ° C. | (1) ACD |
Koc | 1.91 x 106 | Ph 6; TEMP: 25 ° C. | (1) ACD |
Koc | 1.57 x 106 | Ph 7; TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Koc | 5.78 x 105 | Ph 8; TEMP: 25 ° C. | (1) ACD |
Koc | 95000 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Koc | 27500 | Ph 10; TEMP: 25 ° C. | (1) ACD |
log | 6.01 | Ph 1; TEMP: 25 ° C. | (1) ACD |
log | 7.43 | Ph 2; TEMP: 25 ° C. | (1) ACD |
log | 8.44 | Ph 3; TEMP: 25 ° C. | (1) ACD |
log | 8.93 | Ph 4; TEMP: 25 ° C. | (1) ACD |
log | 9.02 | Ph 5; TEMP: 25 ° C. | (1) ACD |
log | 9.02 | Ph 6; TEMP: 25 ° C. | (1) ACD |
log | 8.94 | Ph 7; TEMP: 25 ° C. | (1) ACD |
log | 8.51 | Ph 8; TEMP: 25 ° C. | (1) ACD |
log | 7.72 | Ph 9; TEMP: 25 ° C. | (1) ACD |
log | 7.18 | Ph 10; TEMP: 25 ° C. | (1) ACD |
logio | 9.038 ± 0.723 | TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid torfol | 1.4 x 10-5 g/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 0.014 g/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 5.3 x 10-4 g/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 5.3 x 10-5 g/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.7 x 10-5 g/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.3 x 10-5 g/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.3 x 10-5 g/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.7 x 10-5 g/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 4.5 x 10-5 g/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 2.8 x 10-4 g/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 9.8 x 10-4 g/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.7 x 10-5 g/l | Dŵr heb ei drin pH 6.99; TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid molar | 1.6 x 10-8 mol/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.6 x 10-5 mol/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 6.0 x 10-7 mol/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 6.0 x 10-8 mol/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.9 x 10-8 mol/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.5 x 10-8 mol/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Hydoddedd molar | 1.5 x 10-8 mol/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.9 x 10-8 mol/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 5.1 x 10-8 mol/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 3.1 x 10-7 mol/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.1 x 10-6 mol/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.9 x 10-8 mol/l | Dŵr heb ei drin pH 6.99; TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 887.96 | ||
PKA | 7.87 ± 0.43 | Mwyaf Temp Asidig: 25 ° C. | (1) ACD |
PKA | 3.45 ± 0.70 | Temp mwyaf sylfaenol: 25 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Bondiau rotatable yn rhydd | 19 | (1) ACD | |
H Derbynyddion | 15 | (1) ACD | |
H rhoddwyr | 1 | (1) ACD | |
H rhoddwr/derbynnydd swm | 16 | (1) ACD | |
logio | 9.038 ± 0.723 | TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 887.96 |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Eiddo | Gwerthfawrogom | Ffynhonnell Cyflwr |
Arwynebedd pegynol | 178 A2 | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Sbectra ar gael
1 h nmr
13 C NMR
Codiff | Datganiad Peryglon | Ffynhonnell |
H335 | Gall achosi llid anadlol | Wedi'i guradu arbenigol |
Codiff | Datganiad Peryglon | Ffynhonnell |
H331 | Gwenwynig os caiff ei anadlu | Wedi'i guradu arbenigol |
H319 | Yn achosi llid llygad difrifol | Wedi'i guradu arbenigol |
H315 | Yn achosi llid ar y croen | Wedi'i guradu arbenigol |
H311 | Gwenwynig mewn cysylltiad â chroen | Wedi'i guradu arbenigol |
H301+H311+H331 | Gwenwynig os caiff ei lyncu, mewn cysylltiad â chroen neu anadlu | Wedi'i guradu arbenigol |
H301 | Gwenwynig os yw'n cael ei lyncu | Wedi'i guradu arbenigol |