C45H56N7O9P guanosine, 5 ′ -o- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -o-methyl- n- (2-methyl-1-oxopropyl)-, 3 ′-[2-cyanethyl n, nosphylthe (accy)
Rhif Cofrestrfa CAS
150780-67-9
H303
Priodweddau Ffisegol Allweddol | Gwerthfawrogom | Cyflyrasoch |
Pwysau moleciwlaidd | 869.94 | - |
PKA (a ragwelir) | 9.16 ± 0.20 | Mwyaf Temp Asidig: 25 ° C. |
N#CCCOP (OC1C (OC (N2C = NC = 3C (= O) N = C (NC (= O) C (C) NC32) C1OC) COC (C = 4C = CC = CC = CC4) (C5 = CC = C (C) = C) = C) = c
Gwenau isomerig
C (OC [C @@ H] 1 [C @@ H] (OP (N (C (C (C) C) C (C) C) OCCC#N) [C @@ H] (OC) [C @@ H] (O1) N2C3 = C (n = C2) C (= O) N = C (C) = C) = O) (C) = C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Inchi
InChI= 1S/C45H56N7O9P/c1-28(2)41(53)49-44-48-40-37(42(54)50-44)47-27-51(40)43-39(57-9)38(61-62(59-25-13-24-
46. -30,36,38-39,43h, 13,25-26H2,1-9H3, (H2,48,49,50,53,54)/T36-, 38-, 39-, 43-, 62?/M1/S1
Allwedd inchi
IrrdhrzuoZnwdj-mlldkzsosa-n
1 enw arall ar y sylwedd hwn
Guanosine, 5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′-O-methyl-N-(2-methyl-1-oxopropyl)-, 3 ′-[2-cyanoethyl bis (1-methylethyl) ffosfforamidite] (9Ci)
Sbectra ar gael
13 C NMR
Hetero nmr
Eiddo ar gael
Biolegol
Gemegol
Lipinski
Strwythur yn gysylltiedig
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Ffactor Bio -ganolbwynt | 183 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 3890 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 35500 | Ph 3; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.08 x 105 | Ph 4; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.36 x 105 | Ph 5; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.39 x 105 | Ph 6; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.38 x 105 | Ph 7; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.24 x 105 | Ph 8; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 63600 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 11900 | 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 | 220 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Koc | 4680 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Koc | 42600 | Ph 3; TEMP: 25 ° C. | (1) ACD |
Koc | 1.30 x 105 | Ph 4; TEMP: 25 ° C. | (1) ACD |
Koc | 1.63 x 105 | Ph 5; TEMP: 25 ° C. | (1) ACD |
Koc | 1.67 x 105 | Ph 6; TEMP: 25 ° C. | (1) ACD |
Koc | 1.65 x 105 | Ph 7; TEMP: 25 ° C. | (1) ACD |
Koc | 1.49 x 105 | Ph 8; TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Koc | 76400 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Koc | 14200 | Ph 10; TEMP: 25 ° C. | (1) ACD |
log | 4.19 | Ph 1; TEMP: 25 ° C. | (1) ACD |
log | 5.52 | Ph 2; TEMP: 25 ° C. | (1) ACD |
log | 6.48 | Ph 3; TEMP: 25 ° C. | (1) ACD |
log | 6.96 | Ph 4; TEMP: 25 ° C. | (1) ACD |
log | 7.06 | Ph 5; TEMP: 25 ° C. | (1) ACD |
log | 7.07 | Ph 6; TEMP: 25 ° C. | (1) ACD |
log | 7.07 | Ph 7; TEMP: 25 ° C. | (1) ACD |
log | 7.02 | Ph 8; TEMP: 25 ° C. | (1) ACD |
log | 6.73 | Ph 9; TEMP: 25 ° C. | (1) ACD |
log | 6.00 | Ph 10; TEMP: 25 ° C. | (1) ACD |
logio | 7.072 ± 0.721 | TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid torfol | 1.2 x 10-4 g/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 0.096 g/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 4.3 x 10-3 g/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 4.8 x 10-4 g/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.6 x 10-4 g/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.2 x 10-4 g/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.2 x 10-4 g/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.2 x 10-4 g/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.4 x 10-4 g/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 2.7 x 10-4 g/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.4 x 10-3 g/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.2 x 10-4 g/l | Dŵr heb ei drin pH 7.00; TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid molar | 1.4 x 10-7 mol/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.1 x 10-4 mol/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 5.0 x 10-6 mol/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 5.5 x 10-7 mol/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.8 x 10-7 mol/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.4 x 10-7 mol/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.4 x 10-7 mol/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Hydoddedd molar | 1.4 x 10-7 mol/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.6 x 10-7 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 | 1.6 x 10-6 mol/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.4 x 10-7 mol/l | Dŵr heb ei drin pH 7.00; TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 869.94 | ||
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 | Cyflyrasoch | Ffynhonnell |
Bondiau rotatable yn rhydd | 19 | (1) ACD | |
H Derbynyddion | 16 | (1) ACD | |
H rhoddwyr | 2 | (1) ACD | |
H rhoddwr/derbynnydd swm | 18 | (1) ACD | |
logio | 7.072 ± 0.721 | TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 869.94 |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Eiddo | Gwerthfawrogom | Ffynhonnell Cyflwr |
Arwynebedd pegynol | 194 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 |
H303 | Gall fod yn niweidiol os caiff ei lyncu | Wedi'i guradu arbenigol |