C45H56N7O9P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-ocsopropyl)-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) ffosfforamidit] (ACI)
Rhif Cofrestrfa CAS
150780-67-9
H303
Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
Pwysau Moleciwlaidd | 869.94 | - |
pKa (Rhagweld) | 9.16±0.20 | Tymheredd Mwyaf Asidig: 25 °C |
N#CCCOP(OC1C(OC(N2C=NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OC)COC(C=4C=CC=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C6)N(C(C)C)C(C)C
GWênau Isomerig
C(OC[C@@H]1[C@H](OP(N(C)C)C(C)C)OCCC#N)[C@@H](OC)[C@@ H](O1)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C(OC) 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)52(29(3)4)30(5)6)36(60-43)26-58-45(31-14-11-10-12-15-31,32-1 6-20-34(55-7)21-17-32)33-18-22-35(56-8)23-19-33/h10-12,14-23,27 -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
Guanosin, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-N-(2-methyl-1-ocsopropyl)-, 3′ - [2-cyanoethyl bis(1-methylethyl) phosphoramidite] (9CI)
Sbectra ar gael
13 C NMR
Hetero NMR
Eiddo ar gael
Biolegol
Cemegol
Lipinski
Strwythur Cysylltiedig
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Ffactor Bio-ganolbwyntio | 183 | pH 1; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 3890 | pH 2; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 35500 | pH 3; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 1.08 x 105 | pH 4; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 1.36 x 105 | pH 5; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 1.39 x 105 | pH 6; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 1.38 x 105 | pH 7; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 1.24 x 105 | pH 8; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 63600 | pH 9; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 11900 | pH 10; Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Koc | 220 | pH 1; Tymheredd: 25 °C | (1) ACD |
Koc | 4680 | pH 2; Tymheredd: 25 °C | (1) ACD |
Koc | 42600 | pH 3; Tymheredd: 25 °C | (1) ACD |
Koc | 1.30 x 105 | pH 4; Tymheredd: 25 °C | (1) ACD |
Koc | 1.63 x 105 | pH 5; Tymheredd: 25 °C | (1) ACD |
Koc | 1.67 x 105 | pH 6; Tymheredd: 25 °C | (1) ACD |
Koc | 1.65 x 105 | pH 7; Tymheredd: 25 °C | (1) ACD |
Koc | 1.49 x 105 | pH 8; Tymheredd: 25 °C | (1) ACD |
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Koc | 76400 | pH 9; Tymheredd: 25 °C | (1) ACD |
Koc | 14200 | pH 10; Tymheredd: 25 °C | (1) ACD |
logD | 4.19 | pH 1; Tymheredd: 25 °C | (1) ACD |
logD | 5.52 | pH 2; Tymheredd: 25 °C | (1) ACD |
logD | 6.48 | pH 3; Tymheredd: 25 °C | (1) ACD |
logD | 6.96 | pH 4; Tymheredd: 25 °C | (1) ACD |
logD | 7.06 | pH 5; Tymheredd: 25 °C | (1) ACD |
logD | 7.07 | pH 6; Tymheredd: 25 °C | (1) ACD |
logD | 7.07 | pH 7; Tymheredd: 25 °C | (1) ACD |
logD | 7.02 | pH 8; Tymheredd: 25 °C | (1) ACD |
logD | 6.73 | pH 9; Tymheredd: 25 °C | (1) ACD |
logD | 6.00 | pH 10; Tymheredd: 25 °C | (1) ACD |
logP | 7.072±0.721 | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Cynhenid Torfol | 1.2 x 10-4 g/L | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 0.096 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 4.3 x 10-3 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 4.8 x 10-4 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 1.6 x 10-4 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 1.2 x 10-4 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 1.2 x 10-4 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 1.2 x 10-4 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 1.4 x 10-4 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 2.7 x 10-4 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 1.4 x 10-3 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 1.2 x 10-4 g/L | Dŵr heb ei glustogi pH 7.00; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Cynhenid molar | 1.4 x 10-7 môl/L | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 1.1 x 10-4 môl/L | pH 1; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 5.0 x 10-6 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 5.5 x 10-7 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 1.8 x 10-7 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 1.4 x 10-7 môl/L | pH 5; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 1.4 x 10-7 môl/L | pH 6; Tymheredd: 25 °C | (1) ACD |
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Hydoddedd Molar | 1.4 x 10-7 môl/L | pH 7; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 1.6 x 10-7 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 3.1 x 10-7 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 1.6 x 10-6 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 1.4 x 10-7 môl/L | Dŵr heb ei glustogi pH 7.00; Tymheredd: 25 °C | (1) ACD |
Pwysau Moleciwlaidd | 869.94 | ||
pKa | 9.16±0.20 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
pKa | 3.45±0.70 | Tymheredd Mwyaf Sylfaenol: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Bondiau Cylchdroadwy | 19 | (1) ACD | |
H Derbynwyr | 16 | (1) ACD | |
H Rhoddwyr | 2 | (1) ACD | |
H Swm Rhoddwr/Derbynnydd | 18 | (1) ACD | |
logP | 7.072±0.721 | Tymheredd: 25 °C | (1) ACD |
Pwysau Moleciwlaidd | 869.94 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Eiddo | Gwerth | Ffynhonnell Cyflwr |
Arwynebedd Pegynol | 194 A2 | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Sbectra ar gael
1 H NMR
13 C NMR
Cod | Datganiad Perygl | Ffynhonnell |
H303 | Gall fod yn niweidiol os caiff ei lyncu | Arbenigwr wedi'i Guradu |