![C47H60N7O10P Guanosin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3' – [2-cyanoethyl N ,N-bis(1-methylethyl)phosphoramidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C47H60N7O10P Guanosin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3' – [2-cyanoethyl N ,N-bis (1-methylethyl)phosphoramidit] (ACI) Udvalgt billede](https://www.csnvchem.com/uploads/C47H60N7O10P-Guanosine.png)
C47H60N7O10P Guanosin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3' – [2-cyanoethyl N ,N-bis(1-methylethyl)phosphoramidit] (ACI)
CAS registreringsnummer
251647-55-9
H302
| Vigtige fysiske egenskaber | Værdi | Tilstand |
| Molekylvægt | 914,00 | - |
| pKa (forudsagt) | 9,16±0,20 | Mest sure temperatur: 25 °C |
Kanoniske SMIL
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
Isomere SMIL
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(64-65(62-25-13-24-48)54( 31(3)4)32(5)6)38(63-45)28-61-47(33-14-11-10-12-15-33,34-16-20-3 6(58-8)21-17-34)35-18-22-37(59-9)23-19-35/h10-12,14-23,29-32,38 ,40-41,45H,13,25-28H2,1-9H3,(H2,50,51,52,55,56)/t38-,40-,41-,45-,65a/m1/s1
InChI nøgle
LADCDGNEBIQAAU-SBCRAQIVSA-N
17 Andre navne for dette stof
Guanosin, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3'-[2-cyanoethyl-bis(1-methylethyl)phosphoramidit] (9Cl); 17: PN: US20030212017 SIDE: 20 påstået sekvens; 18: PN: US20030211606 SIDE: 20
påstået sekvens; 19: PN: US20040005569 SIDE: 22 påberåbt sekvens; 21: PN: US20040006030 SIDE: 23 påberåbt sekvens; 21: PN: US20040014047 SIDE: 21 påberåbt sekvens; 21: PN: US20040014049 SIDE: 21 påberåbt sekvens; 22: PN: US20030198965 PAG
E: 20 påberåbt sekvens; 22: PN: US20040005570 SIDE: 21 påberåbt sekvens; 22: PN: US20040014048 SIDE: 21 påberåbt sekvens;
22: PN: US20040014050 SIDE: 21 påberåbt sekvens; 23: PN: US20040005565 SIDE: 17-22 påberåbt sekvens; 23: PN: US20040
014051 SIDE: 23 påberåbt sekvens; 24: PN: US20040014699 SIDE: 21 påberåbt sekvens; 25: PN: US20040006029 SIDE: 23 påberåbt sekvens; 25: PN: WO 03106645 SIDE: 73 påberåbt sekvens; 96: PN: US20040005707 SIDE: 21 påstået sekvens
Spectra tilgængelige
13C NMR
Hetero NMR
Egenskaber til rådighed
Biologisk
Kemisk
Lipinski
Strukturrelateret
| Ejendom | Værdi | Tilstand | Kilde |
| Biokoncentrationsfaktor | 121 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 2580 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 23500 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 71800 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 89800 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 92100 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 91300 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 82500 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 42200 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 7860 | pH 10; Temperatur: 25 °C | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ejendom | Værdi | Tilstand | Kilde |
| Koc | 164 | pH 1; Temperatur: 25 °C | (1) ACD |
| Koc | 3480 | pH 2; Temperatur: 25 °C | (1) ACD |
| Koc | 31700 | pH 3; Temperatur: 25 °C | (1) ACD |
| Koc | 96900 | pH 4; Temperatur: 25 °C | (1) ACD |
| Koc | 1,21 x 105 | pH 5; Temperatur: 25 °C | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Koc | 1,24 x 105 | pH 6; Temperatur: 25 °C | (1) ACD |
| Koc | 1,23 x 105 | pH 7; Temperatur: 25 °C | (1) ACD |
| Koc | 1,11 x 105 | pH 8; Temperatur: 25 °C | (1) ACD |
| Koc | 56900 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 10600 | pH 10; Temperatur: 25 °C | (1) ACD |
| logD | 3,95 | pH 1; Temperatur: 25 °C | (1) ACD |
| logD | 5,28 | pH 2; Temperatur: 25 °C | (1) ACD |
| logD | 6,24 | pH 3; Temperatur: 25 °C | (1) ACD |
| logD | 6,73 | pH 4; Temperatur: 25 °C | (1) ACD |
| logD | 6,82 | pH 5; Temperatur: 25 °C | (1) ACD |
| logD | 6,83 | pH 6; Temperatur: 25 °C | (1) ACD |
| logD | 6,83 | pH 7; Temperatur: 25 °C | (1) ACD |
| logD | 6,79 | pH 8; Temperatur: 25 °C | (1) ACD |
| logD | 6,50 | pH 9; Temperatur: 25 °C | (1) ACD |
| logD | 5,77 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 6,837±0,764 | Temperatur: 25 °C | (1) ACD |
| Masse iboende opløselighed | 4,4 x 10-4 g/L | Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 0,34 g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 0,016 g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 1,7 x 10-3 g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 5,7 x 10-4 g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 4,6 x 10-4 g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 4,4 x 10-4 g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 4,5 x 10-4 g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 4,9 x 10-4 g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 1,0 x 10-3 g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 5,2 x 10-3 g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 4,5 x 10-4 g/L | Upufret vand pH 6,99; Temperatur: 25 °C | (1) ACD |
| Molær indre opløselighed | 4,8 x 10-7 mol/L | Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 3,7 x 10-4 mol/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,7 x 10-5 mol/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,9 x 10-6 mol/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Molær opløselighed | 6,2 x 10-7 mol/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,0 x 10-7 mol/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 4,8 x 10-7 mol/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 4,9 x 10-7 mol/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,4 x 10-7 mol/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,1 x 10-6 mol/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,7 x 10-6 mol/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 4,9 x 10-7 mol/L | Upufret vand pH 6,99; Temperatur: 25 °C | (1) ACD |
| Molekylvægt | 914,00 | ||
| pKa | 9,16±0,20 | Mest sure temperatur: 25 °C | (1) ACD |
| pKa | 3,45±0,70 | Mest grundlæggende temperatur: 25 °C | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ejendom | Værdi | Tilstand | Kilde |
| Frit roterbare obligationer | 22 | (1) ACD | |
| H Acceptorer | 17 | (1) ACD | |
| H Donorer | 2 | (1) ACD | |
| H Donor/Acceptorsum | 19 | (1) ACD | |
| logP | 6,837±0,764 | Temperatur: 25 °C | (1) ACD |
| Molekylvægt | 914,00 |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ejendom | Værdi | Tilstand Kilde |
| Polar overfladeareal | 203 A2 | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra tilgængelige
1H NMR
13C NMR
| Kode Faresætning Kilde | |
| H302 Farlig ved indtagelse | Det Europæiske Kemikalieagentur (ECHA) Klassificering og mærkning Fortegnelse - Notificeret klassificering og mærkning - mest almindelige meddelelser, European Chemical Agency (ECHA) Klassificerings- og mærkningsfortegnelse - Meddelt klassificering og mærkning - mest alvorlige meddelelser |
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