![C53H66N7O8PSi CAS-NR.: 104992-55-4 Adenosin, N-Benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O- [(1,1-dimethylethyl)dimethylsilyl]-, 3′ – [2-Cyanoethyl-N,N-bis(1-methylethyl)phosphoramidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C53H66N7O8PSi CAS-NR.: 104992-55-4 Adenosin, N-Benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O- [(1,1-dimethylethyl)dimethylsilyl]-, 3′ – [2-Cyanoethyl-N,N-bis(1-methylethyl)phosphoramidit] (ACI) Ausgewähltes Bild](https://www.csnvchem.com/uploads/C53H66N7O8PSi.png)
C53H66N7O8PSi CAS-NR.: 104992-55-4 Adenosin, N-Benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O- [(1,1-dimethylethyl)dimethylsilyl]-, 3′ – [2-Cyanoethyl-N,N-bis(1-methylethyl)phosphoramidit] (ACI)
CAS-Registrierungsnummer
104992-55-4
| Wichtige physikalische Eigenschaften | Wert | Zustand |
| Molekulargewicht | 988,19 | - |
| pKa (vorhergesagt) | 7,87 ± 0,43 | Die sauerste Temperatur: 25 °C |
Kanonisches LÄCHELN
N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1O[Si](C)(C)C(C)(C)C )COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7= CC=C(OC)C=C7)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](O[Si](C (C)(C)C)(C)C)[C@@H](O1)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4) N=CN3) (C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
InChI
InChI= 1S/C53H66N7O8PSi/c1-36(2)60(37(3)4)69(65-32-18-31-54)67-46-44(33-64-53(39-21-16-) 13-17-22-39,40-23-27-42(62-8)28-24-40 )41-25-29-43(63-9)30-26-41)66-51(47( 46)68-70(10,11)52(5,6)7)59-35-57-45-48(55-34-56-49(45)59)58-50(61)38-19- 14-12-15-20-38/h1 2-17,19-30,34-37,44,46-47,51H,18,32-33H2,1-11H3,(H,55,56,58, 61)/t44-,46-,47-,51-,69?/m1/s1
InChI-Schlüssel
FFXHNCNNHASXCT-RFMFGJHUSA-N
1 Anderer Name für diesen Stoff
Adenosin,N-Benzoyl-5′ -O- [Bis(4-methoxyphenyl)phenylmethyl]-2′ -O- [(1,1-Dimethylethyl)dimethylsilyl]-, 3′ - [2-Cyanoethyl-bis(1-methylethyl)phosphoramidit] (9CI)
Spektren verfügbar
Masse
Eigenschaften verfügbar
Biologisch
Chemisch
Lipinski
Strukturbezogen
| Eigentum | Wert | Zustand | Quelle |
| Biokonzentrationsfaktor | 5,50 x 105 | pH-Wert 1;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,00 x 106 | pH-Wert 2;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,00 x 106 | pH-Wert 3;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,00 x 106 | pH-Wert 4;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,00 x 106 | pH-Wert 5;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,00 x 106 | pH-Wert 6;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,00 x 106 | pH-Wert 7;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,00 x 106 | pH-Wert 8;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,00 x 106 | pH-Wert 9;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,00 x 106 | 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 | 61500 | pH-Wert 1;Temperatur: 25 °C | (1) ACD |
| Koc | 1,64 x 106 | pH-Wert 2;Temperatur: 25 °C | (1) ACD |
| Koc | 1,00 x 107 | pH-Wert 3;Temperatur: 25 °C | (1) ACD |
| Koc | 1,00 x 107 | pH-Wert 4;Temperatur: 25 °C | (1) ACD |
| Koc | 1,00 x 107 | pH-Wert 5;Temperatur: 25 °C | (1) ACD |
| Koc | 1,00 x 107 | pH-Wert 6;Temperatur: 25 °C | (1) ACD |
| Koc | 1,00 x 107 | pH-Wert 7;Temperatur: 25 °C | (1) ACD |
| Koc | 1,00 x 107 | pH-Wert 8;Temperatur: 25 °C | (1) ACD |
| Koc | 3,20 x 106 | pH-Wert 9;Temperatur: 25 °C | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Koc | 9,24 x 105 | pH-Wert 10;Temperatur: 25 °C | (1) ACD |
| logD | 8.81 | pH-Wert 1;Temperatur: 25 °C | (1) ACD |
| logD | 10.24 | pH-Wert 2;Temperatur: 25 °C | (1) ACD |
| logD | 11.24 | pH-Wert 3;Temperatur: 25 °C | (1) ACD |
| logD | 11.73 | pH-Wert 4;Temperatur: 25 °C | (1) ACD |
| logD | 11.83 | pH-Wert 5;Temperatur: 25 °C | (1) ACD |
| logD | 11.83 | pH-Wert 6;Temperatur: 25 °C | (1) ACD |
| logD | 11.75 | pH-Wert 7;Temperatur: 25 °C | (1) ACD |
| logD | 11.31 | pH-Wert 8;Temperatur: 25 °C | (1) ACD |
| logD | 10.53 | pH-Wert 9;Temperatur: 25 °C | (1) ACD |
| logD | 9,99 | pH-Wert 10;Temperatur: 25 °C | (1) ACD |
| logP | 11,845 ± 0,715 | Temperatur: 25 °C | (1) ACD |
| Massenintrinsische Löslichkeit | 1,2 x 10-5 g/L | Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 3,5 x 10-3 g/L | pH-Wert 1;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 1,1 x 10-4 g/L | pH-Wert 2;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 9,9 x 10-6 g/L | pH-Wert 3;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 3,4 x 10-6 g/L | pH-Wert 4;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 2,7 x 10-6 g/L | pH-Wert 5;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 2,7 x 10-6 g/L | pH-Wert 6;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 3,2 x 10-6 g/L | pH-Wert 7;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 8,9 x 10-6 g/L | pH-Wert 8;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 6,3 x 10-5 g/L | pH-Wert 9;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 4,2 x 10-4 g/L | pH-Wert 10;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 3,2 x 10-6 g/L | Ungepuffertes Wasser pH 7,00;Temperatur: 25 °C | (1) ACD |
| Molare intrinsische Löslichkeit | 1,2 x 10-8 mol/L | Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 3,5 x 10-6 mol/L | pH-Wert 1;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 1,1 x 10-7 mol/L | pH-Wert 2;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 1,0 x 10-8 mol/L | pH-Wert 3;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 3,4 x 10-9 mol/L | pH-Wert 4;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 2,7 x 10-9 mol/L | pH-Wert 5;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 2,7 x 10-9 mol/L | pH-Wert 6;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 3,2 x 10-9 mol/L | pH-Wert 7;Temperatur: 25 °C | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Molare Löslichkeit | 9,0 x 10-9 mol/L | pH-Wert 8;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 6,4 x 10-8 mol/L | pH-Wert 9;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 4,2 x 10-7 mol/L | pH-Wert 10;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 3,2 x 10-9 mol/L | Ungepuffertes Wasser pH 7,00;Temperatur: 25 °C | (1) ACD |
| Molekulargewicht | 988,19 | ||
| pKa | 7,87 ± 0,43 | 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 | 21 | (1) ACD | |
| H-Akzeptoren | 15 | (1) ACD | |
| H-Spender | 1 | (1) ACD | |
| H-Geber/Akzeptor-Summe | 16 | (1) ACD | |
| logP | 11,845 ± 0,715 | Temperatur: 25 °C | (1) ACD |
| Molekulargewicht | 988,19 |
| Eigentum | Wert | Bedingungsquelle |
| Polaroberfläche | 178 A2 | (1) ACD |
(1) Berechnet mit der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektren verfügbar
1 H-NMR
13 C-NMR
![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)](https://www.csnvchem.com/uploads/C47H60N7O10P-Guanosine-300x300.png)
![C40H49N4O9P Uridin, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI)](https://www.csnvchem.com/uploads/C40H49N4O9P-Uridine-300x300.png)
![C42H52N5O9P Cytidin, N-Acetyl-5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′-O- methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] ( ACI)](https://www.csnvchem.com/uploads/C42H52N5O9P-Cytidine-300x300.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)](https://www.csnvchem.com/uploads/C45H56N7O9P-300x300.png)
![C47H51FN7O7P Adenosin, N-Benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – Desoxy-2′-fluor-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) Phosphoramidit] (ACI)](https://www.csnvchem.com/uploads/C47H51FN7O7P-Adenosine-300x300.png)
![C39H46FN4O8P Uridin, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -desoxy-2′ – fluor-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI )](https://www.csnvchem.com/uploads/C39H46FN4O8P-Uridine-300x300.png)