C47H60N7O10P Guanosin, 5′ -O- [bis(4-methoxyffenyl)ffenylmethyl]-2′ -O-(2-methoxyethyl)-N-(2-methyl-1-ocsopropyl)-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl)ffosfforamidit] (ACI)
Rhif Cofrestru CAS
251647-55-9
H302
Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
Pwysau Moleciwlaidd | 914.00 | - |
pKa (Rhagfynegedig) | 9.16±0.20 | Tymheredd Mwyaf Asidig: 25 °C |
GWENAU Canonaidd
N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OCCOC)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](OCCOC)[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/C47H60N7O10P/c1-30(2)43(55)51-46-50-42-39(44(56)52-46)49-29-53(42)45-41(60-27-26-57-7)40(63-25(62-25)) 31(3)4)32(5)6)38(63-45)28-61-47(33-14-11-10-12-15-33,34-16-20-36(58-8)21-17-34)35-18-22-37(59-9)23-19-35/awr10-12,14-23,29-32,38,40-41,45Awr13,25-28Awr2,1-9Awr3,(Awr2,50,51,52,55,56)/t38-,40-,41-,45-,65?/m1/eiliad1
Allwedd InChI
LADCDGNEBIQAAU-SBCRAQIVSA-N
17 Enw Eraill ar gyfer y Sylwedd hwn
Guanosin, 5′ -O- [bis(4-methoxyffenyl)ffenylmethyl]-2′ -O-(2-methoxyethyl)-N-(2-methyl-1-ocsopropyl)-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphoramidite] (9CI); 17: PN: US20030212017 TUDALEN: 20 dilyniant hawliedig; 18: PN: US20030211606 TUDALEN: 20
dilyniant hawliedig; 19: PN: US20040005569 TUDALEN: 22 dilyniant hawliedig; 21: PN: US20040006030 TUDALEN: 23 dilyniant hawliedig; 21: PN: US20040014047 TUDALEN: 21 dilyniant hawliedig; 21: PN: US20040014049 TUDALEN: 21 dilyniant hawliedig; 22: PN: US20030198965 TUDALEN
E: 20 dilyniant hawliedig; 22: PN: US20040005570 TUDALEN: 21 dilyniant hawliedig; 22: PN: US20040014048 TUDALEN: 21 dilyniant hawliedig;
22: PN: US20040014050 TUDALEN: 21 dilyniant hawliedig; 23: PN: US20040005565 TUDALEN: 17- 22 dilyniant hawliedig; 23: PN: US20040
014051 TUDALEN: 23 dilyniant hawliedig; 24: PN: US20040014699 TUDALEN: 21 dilyniant hawliedig; 25: PN: US20040006029 TUDALEN: 23 dilyniant hawliedig; 25: PN: WO03106645 TUDALEN: 73 dilyniant hawliedig; 96: PN: US20040005707 TUDALEN: 21 dilyniant hawliedig
Spectra sydd ar gael
13C NMR
NMR Hetero
Eiddo sydd ar gael
Biolegol
Cemegol
Lipinski
Cysylltiedig â Strwythur
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Ffactor Biogrynodiad | 121 | pH 1; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 2580 | pH 2; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 23500 | pH 3; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 71800 | pH 4; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 89800 | pH 5; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 92100 | pH 6; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 91300 | pH 7; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 82500 | pH 8; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 42200 | pH 9; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 7860 | 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 | 164 | pH 1; Tymheredd: 25 °C | (1) ACD |
Koc | 3480 | pH 2; Tymheredd: 25 °C | (1) ACD |
Koc | 31700 | pH 3; Tymheredd: 25 °C | (1) ACD |
Koc | 96900 | pH 4; Tymheredd: 25 °C | (1) ACD |
Koc | 1.21 x 105 | pH 5; Tymheredd: 25 °C | (1) ACD |
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Koc | 1.24 x 105 | pH 6; Tymheredd: 25 °C | (1) ACD |
Koc | 1.23 x 105 | pH 7; Tymheredd: 25 °C | (1) ACD |
Koc | 1.11 x 105 | pH 8; Tymheredd: 25 °C | (1) ACD |
Koc | 56900 | pH 9; Tymheredd: 25 °C | (1) ACD |
Koc | 10600 | pH 10; Tymheredd: 25 °C | (1) ACD |
logD | 3.95 | pH 1; Tymheredd: 25 °C | (1) ACD |
logD | 5.28 | pH 2; Tymheredd: 25 °C | (1) ACD |
logD | 6.24 | pH 3; Tymheredd: 25 °C | (1) ACD |
logD | 6.73 | pH 4; Tymheredd: 25 °C | (1) ACD |
logD | 6.82 | pH 5; Tymheredd: 25 °C | (1) ACD |
logD | 6.83 | pH 6; Tymheredd: 25 °C | (1) ACD |
logD | 6.83 | pH 7; Tymheredd: 25 °C | (1) ACD |
logD | 6.79 | pH 8; Tymheredd: 25 °C | (1) ACD |
logD | 6.50 | pH 9; Tymheredd: 25 °C | (1) ACD |
logD | 5.77 | pH 10; Tymheredd: 25 °C | (1) ACD |
logP | 6.837±0.764 | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Cynhenid Màs | 4.4 x 10-4 g/L | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 0.34 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 0.016 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 1.7 x 10-3 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 5.7 x 10-4 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 4.6 x 10-4 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 4.4 x 10-4 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 4.5 x 10-4 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 4.9 x 10-4 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 1.0 x 10-3 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 5.2 x 10-3 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 4.5 x 10-4 g/L | Dŵr Heb ei Gluffio pH 6.99; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Cynhenid Molar | 4.8 x 10-7 mol/L | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 3.7 x 10-4 mol/L | pH 1; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 1.7 x 10-5 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 1.9 x 10-6 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Hydoddedd Molar | 6.2 x 10-7 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 5.0 x 10-7 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 4.8 x 10-7 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 4.9 x 10-7 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 5.4 x 10-7 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 1.1 x 10-6 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 5.7 x 10-6 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 4.9 x 10-7 mol/L | Dŵr Heb ei Gluffio pH 6.99; Tymheredd: 25 °C | (1) ACD |
Pwysau Moleciwlaidd | 914.00 | ||
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 | 22 | (1) ACD | |
Derbynyddion H | 17 | (1) ACD | |
Rhoddwyr H | 2 | (1) ACD | |
Swm Rhoddwr/Derbynydd H | 19 | (1) ACD | |
logP | 6.837±0.764 | Tymheredd: 25 °C | (1) ACD |
Pwysau Moleciwlaidd | 914.00 |
(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 | 203 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
Côd Datganiad Perygl Ffynhonnell | |
H302 Niweidiol os caiff ei lyncu | Dosbarthu a Labelu Asiantaeth Gemegol Ewrop (ECHA) Rhestr - Dosbarthiad a labelu hysbysedig - yr hysbysiadau mwyaf cyffredin, Asiantaeth Gemegol Ewrop (ECHA) Rhestr Dosbarthu a Labelu - Dosbarthiad a labelu hysbysedig - yr hysbysiadau mwyaf difrifol |