![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) Ausgewähltes Bild](https://www.csnvchem.com/uploads/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-Registrierungsnummer
150780-67-9
H303
| Wichtige physikalische Eigenschaften | Wert | Zustand |
| Molekulargewicht | 869,94 | - |
| pKa (vorhergesagt) | 9,16 ± 0,20 | Die sauerste 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
Isomeres LÄCHELN
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(59-25-13-24-
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/h10-12,14-23,27 -30,36,38-39,43H,13, 25-26H2,1-9H3,(H2,48,49,50,53,54)/t36-,38-,39-,43-,62?/m1/s1
InChI-Schlüssel
IRRDHRZUOZNWDJ-MLLDKZSOSA-N
1 Anderer Name für diesen Stoff
Guanosin, 5′ -O- [Bis(4-methoxyphenyl)phenylmethyl]-2′ -O-Methyl-N-(2-Methyl-1-oxopropyl)-, 3′ - [2-Cyanoethyl-bis(1-methylethyl)-phosphoramidit] (9CI)
Spektren verfügbar
13 C-NMR
Hetero-NMR
Eigenschaften verfügbar
Biologisch
Chemisch
Lipinski
Strukturbezogen
| Eigentum | Wert | Zustand | Quelle |
| Biokonzentrationsfaktor | 183 | pH-Wert 1;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 3890 | pH-Wert 2;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 35500 | pH-Wert 3;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,08 x 105 | pH-Wert 4;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,36 x 105 | pH-Wert 5;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,39 x 105 | pH-Wert 6;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,38 x 105 | pH-Wert 7;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,24 x 105 | pH-Wert 8;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 63600 | pH-Wert 9;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 11900 | pH-Wert 10;Temperatur: 25 °C | (1) ACD |
(1) Berechnet mit der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Eigentum | Wert | Zustand | Quelle |
| Koc | 220 | pH-Wert 1;Temperatur: 25 °C | (1) ACD |
| Koc | 4680 | pH-Wert 2;Temperatur: 25 °C | (1) ACD |
| Koc | 42600 | pH-Wert 3;Temperatur: 25 °C | (1) ACD |
| Koc | 1,30 x 105 | pH-Wert 4;Temperatur: 25 °C | (1) ACD |
| Koc | 1,63 x 105 | pH-Wert 5;Temperatur: 25 °C | (1) ACD |
| Koc | 1,67 x 105 | pH-Wert 6;Temperatur: 25 °C | (1) ACD |
| Koc | 1,65 x 105 | pH-Wert 7;Temperatur: 25 °C | (1) ACD |
| Koc | 1,49 x 105 | pH-Wert 8;Temperatur: 25 °C | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Koc | 76400 | pH-Wert 9;Temperatur: 25 °C | (1) ACD |
| Koc | 14200 | pH-Wert 10;Temperatur: 25 °C | (1) ACD |
| logD | 4.19 | pH-Wert 1;Temperatur: 25 °C | (1) ACD |
| logD | 5.52 | pH-Wert 2;Temperatur: 25 °C | (1) ACD |
| logD | 6.48 | pH-Wert 3;Temperatur: 25 °C | (1) ACD |
| logD | 6,96 | pH-Wert 4;Temperatur: 25 °C | (1) ACD |
| logD | 7.06 | pH-Wert 5;Temperatur: 25 °C | (1) ACD |
| logD | 7.07 | pH-Wert 6;Temperatur: 25 °C | (1) ACD |
| logD | 7.07 | pH-Wert 7;Temperatur: 25 °C | (1) ACD |
| logD | 7.02 | pH-Wert 8;Temperatur: 25 °C | (1) ACD |
| logD | 6,73 | pH-Wert 9;Temperatur: 25 °C | (1) ACD |
| logD | 6.00 | pH-Wert 10;Temperatur: 25 °C | (1) ACD |
| logP | 7,072 ± 0,721 | Temperatur: 25 °C | (1) ACD |
| Massenintrinsische Löslichkeit | 1,2 x 10-4 g/L | Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 0,096 g/L | pH-Wert 1;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 4,3 x 10-3 g/L | pH-Wert 2;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 4,8 x 10-4 g/L | pH-Wert 3;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 1,6 x 10-4 g/L | pH-Wert 4;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 1,2 x 10-4 g/L | pH-Wert 5;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 1,2 x 10-4 g/L | pH-Wert 6;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 1,2 x 10-4 g/L | pH-Wert 7;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 1,4 x 10-4 g/L | pH-Wert 8;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 2,7 x 10-4 g/L | pH-Wert 9;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 1,4 x 10-3 g/L | pH-Wert 10;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 1,2 x 10-4 g/L | Ungepuffertes Wasser pH 7,00;Temperatur: 25 °C | (1) ACD |
| Molare intrinsische Löslichkeit | 1,4 x 10-7 mol/L | Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 1,1 x 10-4 mol/L | pH-Wert 1;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 5,0 x 10-6 mol/L | pH-Wert 2;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 5,5 x 10-7 mol/L | pH-Wert 3;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 1,8 x 10-7 mol/L | pH-Wert 4;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 1,4 x 10-7 mol/L | pH-Wert 5;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 1,4 x 10-7 mol/L | pH-Wert 6;Temperatur: 25 °C | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Molare Löslichkeit | 1,4 x 10-7 mol/L | pH-Wert 7;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 1,6 x 10-7 mol/L | pH-Wert 8;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 3,1 x 10-7 mol/L | pH-Wert 9;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 1,6 x 10-6 mol/L | pH-Wert 10;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 1,4 x 10-7 mol/L | Ungepuffertes Wasser pH 7,00;Temperatur: 25 °C | (1) ACD |
| Molekulargewicht | 869,94 | ||
| pKa | 9,16 ± 0,20 | Die sauerste Temperatur: 25 °C | (1) ACD |
| pKa | 3,45 ± 0,70 | Grundtemperatur: 25 °C | (1) ACD |
(1) Berechnet mit der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Eigentum | Wert | Zustand | Quelle |
| Frei drehbare Anleihen | 19 | (1) ACD | |
| H-Akzeptoren | 16 | (1) ACD | |
| H-Spender | 2 | (1) ACD | |
| H-Geber/Akzeptor-Summe | 18 | (1) ACD | |
| logP | 7,072 ± 0,721 | Temperatur: 25 °C | (1) ACD |
| Molekulargewicht | 869,94 |
(1) Berechnet mit der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Eigentum | Wert | Bedingungsquelle |
| Polaroberfläche | 194 A2 | (1) ACD |
(1) Berechnet mit der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektren verfügbar
1 H-NMR
13 C-NMR
| Code | Gefahrenhinweis | Quelle |
| H303 | Kann beim Verschlucken gesundheitsschädlich sein | Von Experten kuratiert |
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