![C43H55N4O10P Uridin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)- 5-methyl-, 3'- [2-cyanoethyl-N,N-bis(1-) Methylethyl)phosphoramidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C43H55N4O10P Uridin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)- 5-methyl-, 3'- [2-cyanoethyl-N,N-bis(1-) Methylethyl)phosphoramidit] (ACI) Featured Image](https://www.csnvchem.com/uploads/C43H55N4O10P-Uridine.png)
C43H55N4O10P Uridin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)- 5-methyl-, 3'- [2-cyanoethyl-N,N-bis(1-) Methylethyl)phosphoramidit] (ACI)
CAS Registréierungsnummer
163878-63-5
H302
| Schlëssel kierperlech Eegeschaften | Wäert | Zoustand |
| Molekulare Gewiicht | 818,89 | - |
| pKa (virausgesot) | 9,55±0,10 | Déi meescht sauer Temperatur: 25 °C |
Kanonesch SMILES
N#CCCOP(OC1C(OC(N2C=C(C(=O)NC2=O)C)C1OCCOC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5= CC=C(OC)C=C5)N(C(C)C)C(C)C
Isomeric SMILES
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ H](O1)N2C(=O)NC(=O)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC =C(OC)C=C4)C5= CC=CC=C5
InChI
InChI= 1S/C43H55N4O10P/c1-29(2)47(30(3)4)58(55-24-12-23-44)57-38-37(56-41(39(38)53-26- 25-50-6)46-27-31(5)40(48)45-42(46)49)2 8-54-43(32-13-10-9-11-14-32,33-15 -19-35(51-7)20-16-33)34-17-21-36(52-8)22-18-34/h9-11,13-22,27,29-30,37-39 ,41H,12,24-26,28H2, 1-8H3,(H,45,48,49)/t37-,38-,39-,41-,58?/m1/s1
InChI Schlëssel
YFRRKZDUDXHJNC-KZQAAKLLSA-N
17 Aner Nimm fir dës Substanz
Uridin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-5-methyl-, 3'- [2-cyanoethyl bis(1-methylethyl)phosphor
amidit] (9CI); 10: PN: US20030212017 PAGE: 18 behaapt RNA; 11: PN: US20030211606 PAGE: 18 behaapt RNA; 13: PN: US20040
005569 PAGE: 21 behaapt RNA; 13: PN: US20040006030 PAGE: 22 behaapt RNA; 13: PN: US20040014048 PAGE: 19 behaapt RNA; 13: PN: US20040014049 PAGE: 19 behaapt RNA; 14: PN: US20030198965 PAGE: 19 behaapt RNA; 14: PN: US20040005565 PAGE: 17- 22 behaapt RNA; 14: PN: US20040005570 PAGE: 19 behaapt RNA; 14: PN: US20040014047 PAGE: 19 behaapt RNA; 14: PN: US20040
014699 PAGE: 19 behaapt RNA; 15: PN: US20040014050 PAGE: 19 behaapt RNA; 15: PN: US20040014051 PAGE: 21 behaapt RNA; 15:
PN: WO03106645 PAGE: 69 behaapt RNA; 16: PN: US20040006029 PAGE: 22 behaapt RNA; 87: PN: US20040005707 PAGE: 19 behaapt RNA
Spektrum verfügbar
1H NMR
13 C NMR
Hetero NMR
Eegeschafte verfügbar
Biologesch
Chemesch
Lipinski
Struktur Zesummenhang
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 348 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 2810 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 21 100 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 63 100 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 78 800 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 8 0800 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 8 0800 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 78 800 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 63400 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 21800 | pH 10; Temperatur: 25 °C | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Immobilie | Wäert | Zoustand | Quell |
| Koc | 487 | pH 1; Temperatur: 25 °C | (1) ACD |
| Koc | 3940 | pH 2; Temperatur: 25 °C | (1) ACD |
| Koc | 29600 | pH 3; Temperatur: 25 °C | (1) ACD |
| Koc | 8 8400 | pH 4; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Koc | 1,10 x 105 | pH 5; Temperatur: 25 °C | (1) ACD |
| Koc | 1,13 x 105 | pH 6; Temperatur: 25 °C | (1) ACD |
| Koc | 1,13 x 105 | pH 7; Temperatur: 25 °C | (1) ACD |
| Koc | 1,10 x 105 | pH 8; Temperatur: 25 °C | (1) ACD |
| Koc | 8 8800 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 30 600 | pH 10; Temperatur: 25 °C | (1) ACD |
| log D | 4,39 | pH 1; Temperatur: 25 °C | (1) ACD |
| log D | 5.30 | pH 2; Temperatur: 25 °C | (1) ACD |
| log D | 6.18 | pH 3; Temperatur: 25 °C | (1) ACD |
| log D | 6,65 | pH 4; Temperatur: 25 °C | (1) ACD |
| log D | 6,75 | pH 5; Temperatur: 25 °C | (1) ACD |
| log D | 6,76 | pH 6; Temperatur: 25 °C | (1) ACD |
| log D | 6,76 | pH 7; Temperatur: 25 °C | (1) ACD |
| log D | 6,75 | pH 8; Temperatur: 25 °C | (1) ACD |
| log D | 6,65 | pH 9; Temperatur: 25 °C | (1) ACD |
| log D | 6.19 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 6,761±0,669 | Temperatur: 25 °C | (1) ACD |
| Mass Intrinsesch Solubilitéit | 2,0 x 10-4 g/L | Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 0,046 g/l | pH 1; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 5,7 x 10-3 g/l | pH 2; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 7,6 x 10-4 g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 2,5 x 10-4 g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 2,0 x 10-4 g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 2,0 x 10-4 g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 2,0 x 10-4 g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 2,0 x 10-4 g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 2,5 x 10-4 g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 7,4 x 10-4 g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 2,0 x 10-4 g/L | Ongebuffert Waasser pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molar Intrinsesch Solubilitéit | 2,4 x 10-7 mol/l | Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 5,6 x 10-5 mol/l | pH 1; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 7,0 x 10-6 mol/l | pH 2; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Molar Solubilitéit | 9,3 x 10-7 mol/l | pH 3; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 3,1 x 10-7 mol/l | pH 4; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 2,5 x 10-7 mol/l | pH 5; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 2,4 x 10-7 mol/l | pH 6; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 2,4 x 10-7 mol/l | pH 7; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 2,5 x 10-7 mol/l | pH 8; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 3,1 x 10-7 mol/l | pH 9; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 9,0 x 10-7 mol/l | pH 10; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 2,4 x 10-7 mol/l | Ongebuffert Waasser pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molekulare Gewiicht | 818,89 | ||
| pKa | 9,55±0,10 | Déi meescht sauer Temperatur: 25 °C | (1) ACD |
| pKa | 3,45±0,70 | Déi meescht Basistemperatur: 25 °C | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Immobilie | Wäert | Zoustand | Quell |
| Fräi rotéierbar Obligatiounen | 21 | (1) ACD | |
| H Akzepter | 14 | (1) ACD | |
| H Donateuren | 1 | (1) ACD | |
| H Donateur / Akzeptanz Zomm | 15 | (1) ACD | |
| logP | 6,761±0,669 | Temperatur: 25 °C | (1) ACD |
| Molekulare Gewiicht | 818,89 |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Immobilie | Wäert | Conditioun Quell |
| Polar Fläch Beräich | 164 A2 | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektrum verfügbar
1H NMR
13 C NMR
| Code Hazard Statement Quell | |
| H302 schiedlech beim Schlucken | Europäesch Chemesch Agentur (ECHA) Klassifikatioun a Label Inventaire - Notifizéiert Klassifikatioun an Etikettéierung - meescht üblech Notifikatiounen, European Chemical Agency (ECHA) Klassifikatioun & Etikettéieren Inventar - Notifizéiert Klassifikatioun an Etikettéieren - déi seriöst Notifikatiounen |
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