![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) Udvalgt billede](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 registreringsnummer
163878-63-5
H302
| Vigtige fysiske egenskaber | Værdi | Tilstand |
| Molekylvægt | 818,89 | - |
| pKa (forudsagt) | 9,55±0,10 | Mest sure temperatur: 25 °C |
Kanoniske SMIL
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
Isomere SMIL
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-,58a/m1/s1
InChI nøgle
YFRRKZDUDXHJNC-KZQAAKLLSA-N
17 Andre navne for dette stof
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 SIDE: 18 påstået RNA; 11: PN: US20030211606 SIDE: 18 påberåbt RNA; 13: PN: US20040
005569 SIDE: 21 påberåbt RNA; 13: PN: US20040006030 SIDE: 22 påberåbt RNA; 13: PN: US20040014048 SIDE: 19 påberåbt RNA; 13: PN: US20040014049 SIDE: 19 påberåbt RNA; 14: PN: US20030198965 SIDE: 19 påberåbt RNA; 14: PN: US20040005565 SIDE: 17-22 påberåbt RNA; 14: PN: US20040005570 SIDE: 19 påberåbt RNA; 14: PN: US20040014047 SIDE: 19 påberåbt RNA; 14: PN: US20040
014699 SIDE: 19 påberåbt RNA; 15: PN: US20040014050 SIDE: 19 påberåbt RNA; 15: PN: US20040014051 SIDE: 21 påberåbt RNA; 15:
PN: WO 03106645 SIDE: 69 påberåbt RNA; 16: PN: US20040006029 SIDE: 22 påberåbt RNA; 87: PN: US20040005707 SIDE: 19 påstået RNA
Spectra tilgængelige
1H NMR
13C NMR
Hetero NMR
Egenskaber til rådighed
Biologisk
Kemisk
Lipinski
Strukturrelateret
| Ejendom | Værdi | Tilstand | Kilde |
| Biokoncentrationsfaktor | 348 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 2810 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 21100 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 63100 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 78800 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 80800 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 80800 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 78800 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 63400 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 21800 | 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 | 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 | 88400 | pH 4; Temperatur: 25 °C | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| 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 | 88800 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 30600 | pH 10; Temperatur: 25 °C | (1) ACD |
| logD | 4,39 | pH 1; Temperatur: 25 °C | (1) ACD |
| logD | 5.30 | pH 2; Temperatur: 25 °C | (1) ACD |
| logD | 6.18 | pH 3; Temperatur: 25 °C | (1) ACD |
| logD | 6,65 | pH 4; Temperatur: 25 °C | (1) ACD |
| logD | 6,75 | pH 5; Temperatur: 25 °C | (1) ACD |
| logD | 6,76 | pH 6; Temperatur: 25 °C | (1) ACD |
| logD | 6,76 | pH 7; Temperatur: 25 °C | (1) ACD |
| logD | 6,75 | pH 8; Temperatur: 25 °C | (1) ACD |
| logD | 6,65 | pH 9; Temperatur: 25 °C | (1) ACD |
| logD | 6.19 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 6,761±0,669 | Temperatur: 25 °C | (1) ACD |
| Masse iboende opløselighed | 2,0 x 10-4 g/L | Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 0,046 g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 5,7 x 10-3 g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 7,6 x 10-4 g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 2,5 x 10-4 g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 2,0 x 10-4 g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 2,0 x 10-4 g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 2,0 x 10-4 g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 2,0 x 10-4 g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 2,5 x 10-4 g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 7,4 x 10-4 g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 2,0 x 10-4 g/L | Upufret vand pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molær indre opløselighed | 2,4 x 10-7 mol/L | Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,6 x 10-5 mol/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 7,0 x 10-6 mol/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Molær opløselighed | 9,3 x 10-7 mol/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 3,1 x 10-7 mol/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 2,5 x 10-7 mol/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 2,4 x 10-7 mol/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 2,4 x 10-7 mol/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 2,5 x 10-7 mol/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 3,1 x 10-7 mol/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 9,0 x 10-7 mol/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 2,4 x 10-7 mol/L | Upufret vand pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molekylvægt | 818,89 | ||
| pKa | 9,55±0,10 | 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 | 21 | (1) ACD | |
| H Acceptorer | 14 | (1) ACD | |
| H Donorer | 1 | (1) ACD | |
| H Donor/Acceptorsum | 15 | (1) ACD | |
| logP | 6,761±0,669 | Temperatur: 25 °C | (1) ACD |
| Molekylvægt | 818,89 |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ejendom | Værdi | Tilstand Kilde |
| Polar overfladeareal | 164 A2 | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra tilgængelige
1H NMR
13C NMR
| Kode Faresætning Kilde | |
| H302 Farlig ved indtagelse | Det Europæiske Kemikalieagentur (ECHA) Klassificering og mærkning Fortegnelse - Notificeret klassificering og mærkning - mest almindelige meddelelser, European Chemical Agency (ECHA) Klassificerings- og mærkningsfortegnelse - Meddelt klassificering og mærkning - mest alvorlige meddelelser |
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