C53H66N7O8PSI CAS Rhif: 104992-55-4 Adenosine, N-Benzoyl-5 ′ -o- [bis (4-methoxyphenyl) phenylmethyl] -2 ′-o- [(1,1-dime-'(2-bis-bis, niLsils methylethyl) ffosfforamidite] (aci)
Rhif Cofrestrfa CAS
104992-55-4
Priodweddau Ffisegol Allweddol | Gwerthfawrogom | Cyflyrasoch |
Pwysau moleciwlaidd | 988.19 | - |
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) C1O [SI] (C) (C) C (C) (C) C) COC (C = 5C = CC = C6) = C Cc = c (oc) c = c7) n (c (c) c) c (c) c
Gwenau isomerig
C (OC [C @@ H] 1 [C @@ H] (OP (N (C (C (C) C (C) C) OCCC#N) [C @@ H] (O [SI] (C (C) (C) C) (C) C) [C @@ H] (O1) n2C = 3C = C2) = C (nC (C2) = C N = CN3) (C5 = CC = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7
Inchi
InChI= 1S/C53H66N7O8PSi/c1-36(2)60(37(3)4)69(65-32-18-31-54)67-46-44(33-64-53(39-21-16-13-17-22-39,40-23-27-42(62-8)28-24-40 ) 41-25-29-43 ((66-51) 30-26-41) 66-51 (47 (46) 68-70 (10,11) 52 (5,6) 7) 59-35-57-45-48 (55-34-56-49-19-19 (45) 59) 59) 59) 59) 59) 59) 59 2-17,19-30,34-37,44,46-47,51h, 18,32-33h2,1-11H3, (h, 55,56,58,61)/t44-, 46-, 47-, 51-, 69?/M1/s1
Allwedd inchi
Ffxhncnnhasxct-rfmfgjhusa-n
1 enw arall ar y sylwedd hwn
Adenosine,N-Benzoyl -5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′-O- [(1,1-dimethylethyl) dimethylsilyl]-, 3 ′- [2-cyanoethyl bis (1- methylethyl) ffosfforamidite] (9ci)
Sbectra ar gael
Torfol
Eiddo ar gael
Biolegol
Gemegol
Lipinski
Strwythur yn gysylltiedig
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Ffactor Bio -ganolbwynt | 5.50 x 105 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.00 x 106 | 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 | 1.00 x 106 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.00 x 106 | 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 | 61500 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Koc | 1.64 x 106 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Koc | 1.00 x 107 | Ph 3; TEMP: 25 ° C. | (1) ACD |
Koc | 1.00 x 107 | Ph 4; TEMP: 25 ° C. | (1) ACD |
Koc | 1.00 x 107 | Ph 5; TEMP: 25 ° C. | (1) ACD |
Koc | 1.00 x 107 | Ph 6; TEMP: 25 ° C. | (1) ACD |
Koc | 1.00 x 107 | Ph 7; TEMP: 25 ° C. | (1) ACD |
Koc | 1.00 x 107 | Ph 8; TEMP: 25 ° C. | (1) ACD |
Koc | 3.20 x 106 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Koc | 9.24 x 105 | Ph 10; TEMP: 25 ° C. | (1) ACD |
log | 8.81 | Ph 1; TEMP: 25 ° C. | (1) ACD |
log | 10.24 | Ph 2; TEMP: 25 ° C. | (1) ACD |
log | 11.24 | Ph 3; TEMP: 25 ° C. | (1) ACD |
log | 11.73 | Ph 4; TEMP: 25 ° C. | (1) ACD |
log | 11.83 | Ph 5; TEMP: 25 ° C. | (1) ACD |
log | 11.83 | Ph 6; TEMP: 25 ° C. | (1) ACD |
log | 11.75 | Ph 7; TEMP: 25 ° C. | (1) ACD |
log | 11.31 | Ph 8; TEMP: 25 ° C. | (1) ACD |
log | 10.53 | Ph 9; TEMP: 25 ° C. | (1) ACD |
log | 9.99 | Ph 10; TEMP: 25 ° C. | (1) ACD |
logio | 11.845 ± 0.715 | TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid torfol | 1.2 x 10-5 g/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.5 x 10-3 g/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.1 x 10-4 g/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 9.9 x 10-6 g/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.4 x 10-6 g/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 2.7 x 10-6 g/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 2.7 x 10-6 g/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.2 x 10-6 g/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 8.9 x 10-6 g/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 6.3 x 10-5 g/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 4.2 x 10-4 g/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.2 x 10-6 g/l | Dŵr heb ei drin pH 7.00; TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid molar | 1.2 x 10-8 mol/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 3.5 x 10-6 mol/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.1 x 10-7 mol/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.0 x 10-8 mol/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 3.4 x 10-9 mol/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 2.7 x 10-9 mol/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 2.7 x 10-9 mol/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 3.2 x 10-9 mol/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Hydoddedd molar | 9.0 x 10-9 mol/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 6.4 x 10-8 mol/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 4.2 x 10-7 mol/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 3.2 x 10-9 mol/l | Dŵr heb ei drin pH 7.00; TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 988.19 | ||
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 | 21 | (1) ACD | |
H Derbynyddion | 15 | (1) ACD | |
H rhoddwyr | 1 | (1) ACD | |
H rhoddwr/derbynnydd swm | 16 | (1) ACD | |
logio | 11.845 ± 0.715 | TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 988.19 |
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)
Datblygu Cemeg Uwch (ACD/LABS) Meddalwedd V11.02 (© 1994-2023 ACD/LABS)
Sbectra ar gael
1 h nmr
13 C NMR