C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methyl ethyl)phosphoramidite] (ACI)
Rhif Cofrestrfa CAS
144089-97-4
Priodweddau Ffisegol Allweddol | Gwerthfawrogom | Cyflyrasoch |
Pwysau moleciwlaidd | 857.91 | - |
PKA (a ragwelir) | 9.16 ± 0.20 | Mwyaf Temp Asidig: 25 ° C. |
Gwenau canonaidd
N#CCCOP (OC1C (F) C (OC1COC (C = 2C = CC = CC2) (C3 = CC = C (OC) C = C3) C4 = CC = C (OC) C = C4) N5C = NC = NC = 6C (= O) NC (C) (C) (C65
Gwenau isomerig
C (OC [C @@ H] 1 [c @@ H] (op (n (C (c) c) c (c) c) OCCC#n) [c @@ h] (f) [c @@ h] (o1) n2c3 = c (n = c2) c (= o) n = c (nc (c) = c) = c) = o) n3) (c) = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Inchi
Inchi = 1S/C44H53FN7O8P/C1-27 (2) 40 (53) 49-43-48-39-37 (41 (54) 50-43) 47-26-51 (39) 42-36 (45) 38 (58-61 (58-61 (58-61 (58-61 (58-61 (58-61 (58-61 (58-61 (58-61 (58-61 (58-12 6) 35 (59-42) 25-57-44 (30-13-10-9-11-14-30,31-15-19-33 (55-7) 20-16-31) 32-17-21-34 (56-8) 22-18-32/h9-11,11,38,38,38,38,38,38,38,38,38,38,38,38,38,38,38,38,38,36 24-25H2,1-8H3, (H2,48,49,50,53,54)/T35-, 36-, 38-, 42-, 61?/M1/S1
Allwedd inchi
KjfumxzzVyMqeu-aocjbpqjsa-n
1 enw arall ar y sylwedd hwn
Guanosine, 5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′ -deoxy-2 ′ -fluoro-N-(2-methyl-1-oxopropyl)-, 3 ′-[2-cyanoethyl bis (ethyl 1-methyl) ffosfforamidite] (9Ci)
Eiddo ar gael
Biolegol
Gemegol
Lipinski
Strwythur yn gysylltiedig
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Ffactor Bio -ganolbwynt | 298 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 6350 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 57800 | Ph 3; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.76 x 105 | Ph 4; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 2.21 x 105 | Ph 5; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 2.26 x 105 | Ph 6; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 2.24 x 105 | Ph 7; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 2.03 x 105 | Ph 8; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.04 x 105 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 19300 | 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)
Ffynhonnell Cyflwr Gwerth Eiddo |
Koc 312 pH 1; TEMP: 25 ° C (1) ACD |
KOC 6630 pH 2; TEMP: 25 ° C (1) ACD |
KOC 60400 pH 3; TEMP: 25 ° C (1) ACD |
KOC 1.84 x 105 pH 4; TEMP: 25 ° C (1) ACD |
KOC 2.31 x 105 pH 5; TEMP: 25 ° C (1) ACD |
KOC 2.37 x 105 pH 6; TEMP: 25 ° C (1) ACD |
KOC 2.35 x 105 pH 7; TEMP: 25 ° C (1) ACD |
KOC 2.12 x 105 pH 8; TEMP: 25 ° C (1) ACD |
KOC 1.08 x 105 pH 9; TEMP: 25 ° C (1) ACD |
KOC 20200 pH 10; TEMP: 25 ° C (1) ACD |
logd 4.47 pH 1; TEMP: 25 ° C (1) ACD |
logd 5.80 pH 2; TEMP: 25 ° C (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
log | 6.76 | Ph 3; TEMP: 25 ° C. | (1) ACD |
log | 7.24 | Ph 4; TEMP: 25 ° C. | (1) ACD |
log | 7.34 | Ph 5; TEMP: 25 ° C. | (1) ACD |
log | 7.35 | Ph 6; TEMP: 25 ° C. | (1) ACD |
log | 7.35 | Ph 7; TEMP: 25 ° C. | (1) ACD |
log | 7.30 | Ph 8; TEMP: 25 ° C. | (1) ACD |
log | 7.01 | Ph 9; TEMP: 25 ° C. | (1) ACD |
log | 6.28 | Ph 10; TEMP: 25 ° C. | (1) ACD |
logio | 7.351 ± 0.713 | TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid torfol | 3.0 x 10-5 g/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 0.022 g/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.0 x 10-3 g/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.2 x 10-4 g/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.9 x 10-5 g/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.1 x 10-5 g/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.0 x 10-5 g/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.0 x 10-5 g/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.3 x 10-5 g/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 6.5 x 10-5 g/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.5 x 10-4 g/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.0 x 10-5 g/l | Dŵr heb ei drin pH 7.00; TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid molar | 3.5 x 10-8 mol/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 2.6 x 10-5 mol/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.2 x 10-6 mol/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.4 x 10-7 mol/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 4.5 x 10-8 mol/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 3.6 x 10-8 mol/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 3.5 x 10-8 mol/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 3.5 x 10-8 mol/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 3.9 x 10-8 mol/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 7.6 x 10-8 mol/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 4.1 x 10-7 mol/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Hydoddedd molar | 3.5 x 10-8 mol/l | Dŵr heb ei drin pH 7.00; TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 857.91 | ||
PKA | 9.16 ± 0.20 | 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 | Ffynhonnell Cyflwr |
Arwynebedd pegynol | 184 A2 | (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 | 18 | (1) ACD | |
H Derbynyddion | 15 | (1) ACD | |
H rhoddwyr | 2 | (1) ACD | |
H rhoddwr/derbynnydd swm | 17 | (1) ACD | |
logio | 7.351 ± 0.713 | TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 857.91 |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)