![C47H60N7O10P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2- methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl)phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C47H60N7O10P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2- methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl)phosphoramidite] (ACI) Featured Image](https://cdn.globalso.com/nvchem/C47H60N7O10P-Guanosine.png)
C47H60N7O10P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2- methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl)phosphoramidite] (ACI)
CAS -registernummer
251647-55-9
H302
| Belangrijkste fysieke eigenschappen | Waarde | Voorwaarde |
| Molecuulgewicht | 914,00 | - |
| PKA (voorspeld) | 9,16 ± 0,20 | Meest zure temperatuur: 25 ° C |
Canonieke glimlachen
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 glimlach
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) = O) N3) (C4 = C4 = Cc = Cc = Cc = Cc = Cc = Cc = Cc = C = Cc = C = Cc = C = Cc = C = 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 (62-25-25-20-20-2014-48) 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/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-, 65?/M1/S1
Inchi sleutel
Ladcdgnebiqaau-sbcraqivsa-n
17 andere namen voor deze stof
Guanosine, 5 ′ -O-[bis (4-methoxyfenyl) fenylmethyl] -2 ′-O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3 '-[2-cyanoethyl BIS (1- methylethyl) fosforamidiet] (9ci); 17: PN: US20030212017 Pagina: 20 Claimed Sequence; 18: PN: US20030211606 Pagina: 20
geclaimde volgorde; 19: PN: US20040005569 Pagina: 22 Claimed Sequence; 21: PN: US20040006030 Pagina: 23 Claimed Sequence; 21: PN: US20040014047 Pagina: 21 Claimed Sequence; 21: PN: US20040014049 Pagina: 21 Claimed Sequence; 22: PN: US20030198965 PAG
E: 20 geclaimde reeks; 22: PN: US20040005570 Pagina: 21 Claimed Sequence; 22: PN: US20040014048 Pagina: 21 Claimed Sequence;
22: PN: US20040014050 Pagina: 21 Claimed Sequence; 23: PN: US20040005565 Pagina: 17- 22 Claimed Sequence; 23: PN: US20040
014051 Pagina: 23 geclaimde reeks; 24: PN: US20040014699 Pagina: 21 Claimed Sequence; 25: PN: US20040006029 Pagina: 23 Claimed Sequence; 25: PN: WO03106645 Pagina: 73 Claimed Sequence; 96: PN: US20040005707 Pagina: 21 Claimed Sequence
Spectra beschikbaar
13 c nmr
Hetero NMR
Eigenschappen beschikbaar
Biologisch
Chemisch
Lipinski
Structuur gerelateerd
| Eigendom | Waarde | Voorwaarde | Bron |
| Bioconcentratiefactor | 121 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 2580 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 23500 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 71800 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 89800 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 92100 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 91300 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 82500 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 42200 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 7860 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Eigendom | Waarde | Voorwaarde | Bron |
| KOC | 164 | pH 1; Temp: 25 ° C | (1) ACD |
| KOC | 3480 | pH 2; Temp: 25 ° C | (1) ACD |
| KOC | 31700 | pH 3; Temp: 25 ° C | (1) ACD |
| KOC | 96900 | pH 4; Temp: 25 ° C | (1) ACD |
| KOC | 1.21 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| KOC | 1.24 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| KOC | 1.23 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| KOC | 1.11 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| KOC | 56900 | pH 9; Temp: 25 ° C | (1) ACD |
| KOC | 10600 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 3.95 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | 5.28 | pH 2; Temp: 25 ° C | (1) ACD |
| logd | 6.24 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | 6.73 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 6.82 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 6.83 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 6.83 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 6.79 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | 6.50 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | 5.77 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | 6.837 ± 0,764 | Temp: 25 ° C | (1) ACD |
| Massale intrinsieke oplosbaarheid | 4.4 x 10-4 g/l | Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 0,34 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 0,016 g/l | pH 2; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.7 x 10-3 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 5.7 x 10-4 g/l | pH 4; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 4.6 x 10-4 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 4.4 x 10-4 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 4.5 x 10-4 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 4.9 x 10-4 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1,0 x 10-3 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 5.2 x 10-3 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 4.5 x 10-4 g/l | Ongebufferde water pH 6,99; Temp: 25 ° C | (1) ACD |
| Molaire intrinsieke oplosbaarheid | 4,8 x 10-7 mol/l | Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3.7 x 10-4 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1.7 x 10-5 mol/l | pH 2; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1.9 x 10-6 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| Molaire oplosbaarheid | 6.2 x 10-7 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 5,0 x 10-7 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 4,8 x 10-7 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 4,9 x 10-7 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 5,4 x 10-7 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1.1 x 10-6 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 5.7 x 10-6 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 4,9 x 10-7 mol/l | Ongebufferde water pH 6,99; Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 914,00 | ||
| pka | 9,16 ± 0,20 | Meest zure temperatuur: 25 ° C | (1) ACD |
| pka | 3,45 ± 0,70 | Meest basistemperatuur: 25 ° C | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Eigendom | Waarde | Voorwaarde | Bron |
| Vrij roteerbare bindingen | 22 | (1) ACD | |
| H ACCEPTORS | 17 | (1) ACD | |
| H Donoren | 2 | (1) ACD | |
| H Donor/Acceptor -som | 19 | (1) ACD | |
| logp | 6.837 ± 0,764 | Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 914,00 |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Eigendom | Waarde | Conditiebron |
| Pooloppervlak | 203 A2 | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Spectra beschikbaar
1 H NMR
13 c nmr
| Code Hazard Statement Bron | |
| H302 schadelijk indien ingeslikt | European Chemical Agency (ECHA) Classificatie en labeling Inventaris - aangemelde classificatie en labeling - meest voorkomende meldingen, European Chemical Agency (ECHA) Classificatie- en labelingsinventaris - Meldde classificatie en labeling - De meest ernstige meldingen |
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