![C45H56N7O9P Guanosin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-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)
![C45H56N7O9P Guanosin, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI) Fremhævet billede](https://cdn.globalso.com/nvchem/C45H56N7O9P.png)
C45H56N7O9P Guanosin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-N-(2-methyl-1-oxopropyl)-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI)
CAS-registreringsnummer
150780-67-9
H303
| Vigtige fysiske egenskaber | Værdi | Tilstand |
| Molekylvægt | 869,94 | - |
| pKa (forudsagt) | 9,16±0,20 | Mest sure temperatur: 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
Isomere SMILES
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(61-652-139-24(59-24)
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/t10-12,14-23,27 -30,36,38-39,43H,13,25-26H2,1-9H3,(H2,48,49,50,53,54)/t36-,38-,39-,43-,62?/m1/s1
InChI-nøgle
IRRDHRZUOZNWDJ-MLLDKZSOSA-N
1 Andet navn for dette stof
Guanosin, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-N-(2-methyl-1-oxopropyl)-, 3'-[2-cyanoethyl bis(1-methylethyl)phosphoramidit] (9CI)
Tilgængelige spektre
13C NMR
Hetero-NMR
Tilgængelige ejendomme
Biologisk
Kemisk
Lipinski
Strukturrelateret
| Ejendom | Værdi | Tilstand | Kilde |
| Biokoncentrationsfaktor | 183 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 3890 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 35500 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 1,08 x 105 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 1,36 x 105 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 1,39 x 105 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 1,38 x 105 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 1,24 x 105 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 63600 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 11900 | 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 | 220 | pH 1; Temperatur: 25 °C | (1) ACD |
| Koc | 4680 | pH 2; Temperatur: 25 °C | (1) ACD |
| Koc | 42600 | pH 3; Temperatur: 25 °C | (1) ACD |
| Koc | 1,30 x 105 | pH 4; Temperatur: 25 °C | (1) ACD |
| Koc | 1,63 x 105 | pH 5; Temperatur: 25 °C | (1) ACD |
| Koc | 1,67 x 105 | pH 6; Temperatur: 25 °C | (1) ACD |
| Koc | 1,65 x 105 | pH 7; Temperatur: 25 °C | (1) ACD |
| Koc | 1,49 x 105 | pH 8; Temperatur: 25 °C | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Koc | 76400 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 14200 | pH 10; Temperatur: 25 °C | (1) ACD |
| logD | 4.19 | pH 1; Temperatur: 25 °C | (1) ACD |
| logD | 5,52 | pH 2; Temperatur: 25 °C | (1) ACD |
| logD | 6,48 | pH 3; Temperatur: 25 °C | (1) ACD |
| logD | 6,96 | pH 4; Temperatur: 25 °C | (1) ACD |
| logD | 7.06 | pH 5; Temperatur: 25 °C | (1) ACD |
| logD | 7,07 | pH 6; Temperatur: 25 °C | (1) ACD |
| logD | 7,07 | pH 7; Temperatur: 25 °C | (1) ACD |
| logD | 7.02 | pH 8; Temperatur: 25 °C | (1) ACD |
| logD | 6,73 | pH 9; Temperatur: 25 °C | (1) ACD |
| logD | 6,00 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 7,072±0,721 | Temperatur: 25 °C | (1) ACD |
| Masse iboende opløselighed | 1,2 x 10-4 g/L | Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 0,096 g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 4,3 x 10-3 g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 4,8 x 10-4 g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 1,6 x 10-4 g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 1,2 x 10-4 g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 1,2 x 10-4 g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 1,2 x 10-4 g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 1,4 x 10-4 g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 2,7 x 10-4 g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 1,4 x 10-3 g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 1,2 x 10-4 g/L | Ubufret vand pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molær intrinsisk opløselighed | 1,4 x 10-7 mol/L | Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,1 x 10⁻⁴ mol/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,0 x 10⁻⁶ mol/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,5 x 10-7 mol/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,8 x 10-7 mol/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,4 x 10-7 mol/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,4 x 10-7 mol/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Molær opløselighed | 1,4 x 10-7 mol/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,6 x 10-7 mol/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 3,1 x 10⁻⁶ mol/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,6 x 10⁻⁶ mol/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,4 x 10-7 mol/L | Ubufret vand pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molekylvægt | 869,94 | ||
| 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 | 19 | (1) ACD | |
| H-acceptorer | 16 | (1) ACD | |
| H-donorer | 2 | (1) ACD | |
| H Donor/Acceptor Sum | 18 | (1) ACD | |
| logP | 7,072±0,721 | Temperatur: 25 °C | (1) ACD |
| Molekylvægt | 869,94 |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ejendom | Værdi | Kilde til tilstand |
| Polært overfladeareal | 194 A2 | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tilgængelige spektre
1H-NMR
13C NMR
| Kode | Fareerklæring | Kilde |
| H303 | Kan være skadeligt ved indtagelse | Ekspertkurateret |
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