C45H56N7O9P Guanosin, 5′ -O-[bis(4-methoxyffenyl)ffenylmethyl]-2′ -O-methyl-N-(2-methyl-1-ocsopropyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ffosfforamidit] (ACI)
Rhif Cofrestru CAS
150780-67-9
H303
Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
Pwysau Moleciwlaidd | 869.94 | - |
pKa (Rhagfynegedig) | 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=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)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(519-25-25)
46)52(29(3)4)30(5)6)36(60-43)26-58-45(31-14-11-10-12-15-31,32-16-20-34(55-7)21-17-32)33-18-22-35(56-8)23-19-33/awr10-12,14-23,27 -30,36,38-39,43Awr13,25-26Awr2,1-9Awr3,(Awr2,48,49,50,53,54)/t36-,38-,39-,43-,62?/m1/eiliad1
Allwedd InChI
IRRDHRZUOZNWDJ-MLLDKZSOSA-N
1 Enw Arall ar gyfer y Sylwedd hwn
Guanosin, 5′ -O- [bis(4-methoxyffenyl)ffenylmethyl]-2′ -O-methyl-N-(2-methyl-1-ocsopropyl)-, 3′ - [2-cyanoethyl bis(1-methylethyl) ffosfforamidit] (9CI)
Spectra sydd ar gael
13C NMR
NMR Hetero
Eiddo sydd ar gael
Biolegol
Cemegol
Lipinski
Cysylltiedig â Strwythur
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Ffactor Biogrynodiad | 183 | pH 1; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 3890 | pH 2; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 35500 | pH 3; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 1.08 x 105 | pH 4; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 1.36 x 105 | pH 5; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 1.39 x 105 | pH 6; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 1.38 x 105 | pH 7; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 1.24 x 105 | pH 8; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 63600 | pH 9; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 11900 | pH 10; Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (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 Màs | 1.2 x 10-4 g/L | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 0.096 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 4.3 x 10-3 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 4.8 x 10-4 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 1.6 x 10-4 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 1.2 x 10-4 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 1.2 x 10-4 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 1.2 x 10-4 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 1.4 x 10-4 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 2.7 x 10-4 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 1.4 x 10-3 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 1.2 x 10-4 g/L | Dŵr Heb ei Gluffio pH 7.00; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Cynhenid Molar | 1.4 x 10-7 mol/L | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 1.1 x 10-4 mol/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 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 1.4 x 10-7 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Hydoddedd Molar | 1.4 x 10-7 mol/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 mol/L | Dŵr Heb ei Gluffio 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 Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Bondiau Cylchdroi'n Rhydd | 19 | (1) ACD | |
Derbynyddion H | 16 | (1) ACD | |
Rhoddwyr H | 2 | (1) ACD | |
Swm Rhoddwr/Derbynydd H | 18 | (1) ACD | |
logP | 7.072±0.721 | Tymheredd: 25 °C | (1) ACD |
Pwysau Moleciwlaidd | 869.94 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Eiddo | Gwerth | Ffynhonnell y Cyflwr |
Arwynebedd Wyneb Pegynol | 194 A2 | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra sydd ar gael
1H NMR
13C NMR
Cod | Datganiad Perygl | Ffynhonnell |
H303 | Gall fod yn niweidiol os caiff ei lyncu | Curadwyd gan Arbenigwr |