![C41H49FN5O8P Cytidin, N-Acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – Desoxy-2′ -fluor-, 3′ – [2-Cyanoethyl N,N-bis(1-methylethyl) Phosphoramidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H49FN5O8P Cytidin, N-Acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – Desoxy-2′ -fluor-, 3′ – [2-Cyanoethyl N,N-bis(1-methylethyl) Phosphoramidit] (ACI) Ausgewähltes Bild](https://cdn.globalso.com/nvchem/C41H49FN5O8P-Cytidine.png)
C41H49FN5O8P Cytidin, N-Acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – Desoxy-2′ -fluor-, 3′ – [2-Cyanoethyl N,N-bis(1-methylethyl) Phosphoramidit] (ACI)
CAS-Registrierungsnummer
159414-99-0
| Wichtige physikalische Eigenschaften | Wert | Zustand |
| Molekulargewicht | 789,83 | - |
| pKa (vorhergesagt) | 10,11 ± 0,20 | Die sauerste Temperatur: 25 °C |
Kanonisches LÄCHELN
N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(= NC5=O)NC(=O)C)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](F)[C@@ H](O1)N2C(=O)N=C(NC(C)=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C (OC)C=C4)C5=CC=CC=C5
InChI
InChI= 1S/C41H49FN5O8P/c1-27(2)47(28(3)4)56(53-25-11-23-43)55-38-35(54-39(37(38)42)46-24- 22-36(44-29(5)48)45-40(46)49)26-52- 41(30-12-9-8-10-13-30,31-14-18-33(50-6)19-15-31)32-16-20-34(51 -7)21-17-32/h8-10,12-22,24,27-28,35,37-39H,11,25-26H2,1-7H3,(H, 44,45,48,49)/t35-,37-,38-,39-,56?/m1/s1
InChI-Schlüssel
CNFKJHKDSRXNFL-UTXREMQHSA-N
1 Anderer Name für diesen Stoff
Cytidin,N-Acetyl-5′ -O- [Bis(4-methoxyphenyl)phenylmethyl]-2′-desoxy-2′-fluor-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphoramidit] (9CI)
Spektren verfügbar
Masse
Eigenschaften verfügbar
Biologisch
Chemisch
Lipinski
Strukturbezogen
| Eigentum | Wert | Zustand | Quelle |
| Biokonzentrationsfaktor | 8,60 | pH-Wert 1; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 90,3 | pH-Wert 2; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 3940 | pH-Wert 3; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 39100 | pH-Wert 4; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 64300 | pH-Wert 5; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 68100 | pH-Wert 6; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 68300 | pH-Wert 7; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 66800 | pH-Wert 8; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 54300 | pH-Wert 9; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 19200 | 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 | 12.6 | pH-Wert 1; Temperatur: 25 °C | (1) ACD |
| Koc | 133 | pH-Wert 2; Temperatur: 25 °C | (1) ACD |
| Koc | 5790 | pH-Wert 3; Temperatur: 25 °C | (1) ACD |
| Koc | 57400 | pH-Wert 4; Temperatur: 25 °C | (1) ACD |
| Koc | 94500 | pH-Wert 5; Temperatur: 25 °C | (1) ACD |
| Koc | 1,00 x 105 | pH-Wert 6; Temperatur: 25 °C | (1) ACD |
| Koc | 1,00 x 105 | pH-Wert 7; Temperatur: 25 °C | (1) ACD |
| Koc | 98200 | pH-Wert 8; Temperatur: 25 °C | (1) ACD |
| Koc | 79700 | pH-Wert 9; Temperatur: 25 °C | (1) ACD |
| Koc | 28200 | pH-Wert 10; Temperatur: 25 °C | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| logD | 2,76 | pH-Wert 1; Temperatur: 25 °C | (1) ACD |
| logD | 3,79 | pH-Wert 2; Temperatur: 25 °C | (1) ACD |
| logD | 5.43 | pH-Wert 3; Temperatur: 25 °C | (1) ACD |
| logD | 6.42 | pH-Wert 4; Temperatur: 25 °C | (1) ACD |
| logD | 6,64 | pH-Wert 5; Temperatur: 25 °C | (1) ACD |
| logD | 6,66 | pH-Wert 6; Temperatur: 25 °C | (1) ACD |
| logD | 6,66 | pH-Wert 7; Temperatur: 25 °C | (1) ACD |
| logD | 6,65 | pH-Wert 8; Temperatur: 25 °C | (1) ACD |
| logD | 6.56 | pH-Wert 9; Temperatur: 25 °C | (1) ACD |
| logD | 6.11 | pH-Wert 10; Temperatur: 25 °C | (1) ACD |
| logP | 6,666 ± 0,764 | Temperatur: 25 °C | (1) ACD |
| Massenintrinsische Löslichkeit | 4,5 x 10-5 g/L | Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 0,36 g/L | pH-Wert 1; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 0,035 g/L | pH-Wert 2; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 7,90 x 10-4 g/L | pH-Wert 3; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 7,9 x 10-5 g/L | pH-Wert 4; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 4,8 x 10-5 g/L | pH-Wert 5; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 4,6 x 10-5 g/L | pH-Wert 6; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 4,6 x 10-5 g/L | pH-Wert 7; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 4,7 x 10-5 g/L | pH-Wert 8; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 5,7 x 10-5 g/L | pH-Wert 9; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 1,6 x 10-4 g/L | pH-Wert 10; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 4,6 x 10-5 g/L | Ungepuffertes Wasser pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molare intrinsische Löslichkeit | 5,7 x 10-8 mol/L | Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 4,6 x 10-4 mol/L | pH-Wert 1; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 4,4 x 10-5 mol/L | pH-Wert 2; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 1,00 x 10-6 mol/L | pH-Wert 3; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 1,0 x 10-7 mol/L | pH-Wert 4; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 6,1 x 10-8 mol/L | pH-Wert 5; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 5,8 x 10-8 mol/L | pH-Wert 6; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 5,8 x 10-8 mol/L | pH-Wert 7; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 5,9 x 10-8 mol/L | pH-Wert 8; Temperatur: 25 °C | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Molare Löslichkeit | 7,2 x 10-8 mol/L | pH-Wert 9; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 2,0 x 10-7 mol/L | pH-Wert 10; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 5,8 x 10-8 mol/L | Ungepuffertes Wasser pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molekulargewicht | 789,83 | ||
| pKa | 10,11 ± 0,20 | Die sauerste Temperatur: 25 °C | (1) ACD |
| pKa | 3,57 ± 0,20 | Grundtemperatur: 25 °C | (1) ACD |
(1) Berechnet mit der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Eigentum | Wert | Bedingungsquelle |
| Polaroberfläche | 158 A2 | (1) ACD |
(1) Berechnet mit der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
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