![C43H55N4O10P Uridine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-(2-metoksyetyl)-5-metyl-, 3′-[2-cyanoetyl N,N-bis(1-metyletyl)fosforamidyt] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C43H55N4O10P Uridine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-(2-metoksyetyl)-5-metyl-, 3′ – [2-cyanoetyl N,N-bis(1-metyletyl)fosforamidyt] (ACI) Featured Image](https://www.csnvchem.com/uploads/C43H55N4O10P-Uridine.png)
C43H55N4O10P Uridine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-(2-metoksyetyl)-5-metyl-, 3′-[2-cyanoetyl N,N-bis(1-metyletyl)fosforamidyt] (ACI)
CAS-registraasjenûmer
163878-63-5
H302
| Wichtige fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 818.89 | - |
| pKa (Foarsein) | 9,55±0,10 | Soerste temperatuer: 25 °C |
Kanonike 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
Isomere 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
YnChI
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)46-27-50(49)(49)(49)(46-27-49)(49)(49) 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-kaai
YFRRKZDUDXHJNC-KZQAAKLLSA-N
17 Oare nammen foar dizze stof
Uridine, 5′ -O- [bis(4-metoksyfenyl)fenylmetyl]-2′ -O-(2-metoksyetyl)-5-metyl-, 3'-[2-cyanoetyl bis(1-metyletyl)fosfor
amidyt] (9CI); 10: PN: US20030212017 SIDE: 18 opeaske RNA; 11: PN: US20030211606 SIDE: 18 opeaske RNA; 13: PN: US20040
005569 SIDE: 21 opeaske RNA; 13: PN: US20040006030 SIDE: 22 opeaske RNA; 13: PN: US20040014048 SIDE: 19 opeaske RNA; 13: PN: US20040014049 SIDE: 19 opeaske RNA; 14: PN: US20030198965 SIDE: 19 opeaske RNA; 14: PN: US20040005565 SIDE: 17- 22 opeaske RNA; 14: PN: US20040005570 SIDE: 19 opeaske RNA; 14: PN: US20040014047 SIDE: 19 opeaske RNA; 14: PN: US20040
014699 SIDE: 19 opeaske RNA; 15: PN: US20040014050 SIDE: 19 opeaske RNA; 15: PN: US20040014051 SIDE: 21 opeaske RNA; 15:
PN: WO03106645 SIDE: 69 opeaske RNA; 16: PN: US20040006029 SIDE: 22 opeaske RNA; 87: PN: US20040005707 SIDE: 19 opeaske RNA
Spektra beskikber
1H NMR
13C NMR
Hetero NMR
Beskikbere eigenskippen
Biologysk
Gemysk
Lipinski
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 348 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 2810 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 21100 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 63100 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 78800 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 80800 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 80800 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 78800 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 63400 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 21800 | pH 10; Temperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| Koc | 487 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Koc | 3940 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Koc | 29600 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Koc | 88400 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Koc | 1.10 x 105 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Koc | 1.13 x 105 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Koc | 1.13 x 105 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Koc | 1.10 x 105 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Koc | 88800 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Koc | 30600 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logD | 4.39 | pH 1; Temperatuer: 25 °C | (1) ACD |
| logD | 5.30 | pH 2; Temperatuer: 25 °C | (1) ACD |
| logD | 6.18 | pH 3; Temperatuer: 25 °C | (1) ACD |
| logD | 6.65 | pH 4; Temperatuer: 25 °C | (1) ACD |
| logD | 6.75 | pH 5; Temperatuer: 25 °C | (1) ACD |
| logD | 6.76 | pH 6; Temperatuer: 25 °C | (1) ACD |
| logD | 6.76 | pH 7; Temperatuer: 25 °C | (1) ACD |
| logD | 6.75 | pH 8; Temperatuer: 25 °C | (1) ACD |
| logD | 6.65 | pH 9; Temperatuer: 25 °C | (1) ACD |
| logD | 6.19 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logP | 6.761±0.669 | Temperatuer: 25 °C | (1) ACD |
| Massa yntrinsike oplosberens | 2,0 x 10-4 g/L | Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,046 g/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 5,7 x 10-3 g/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 7,6 x 10-4 g/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,5 x 10-4 g/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,0 x 10-4 g/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,0 x 10-4 g/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,0 x 10-4 g/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,0 x 10-4 g/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,5 x 10-4 g/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 7,4 x 10-4 g/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,0 x 10-4 g/L | Unbufferd wetter pH 7.00; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 2,4 x 10-7 mol/L | Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 5,6 x 10-5 mol/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 7,0 x 10-6 mol/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Molêre oplosberens | 9,3 x 10-7 mol/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,1 x 10-7 mol/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,5 x 10-7 mol/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,4 x 10-7 mol/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,4 x 10-7 mol/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,5 x 10-7 mol/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,1 x 10-7 mol/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 9,0 x 10-7 mol/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,4 x 10-7 mol/L | Unbufferd wetter pH 7.00; Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 818.89 | ||
| pKa | 9,55±0,10 | Soerste temperatuer: 25 °C | (1) ACD |
| pKa | 3,45±0,70 | Meast basistemperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| Frij rotearbere obligaasjes | 21 | (1) ACD | |
| H-akseptors | 14 | (1) ACD | |
| H Donateurs | 1 | (1) ACD | |
| H Donor/Akseptor Som | 15 | (1) ACD | |
| logP | 6.761±0.669 | Temperatuer: 25 °C | (1) ACD |
| Molekulêr gewicht | 818.89 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Boarne fan 'e tastân |
| Poaloerflak | 164 A2 | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikber
1H NMR
13C NMR
| Boarne fan 'e gefaarferklearring fan 'e koade | |
| H302 Skealik by ynslikken | Klassifikaasje en etikettering fan it Europeesk Gemysk Agintskip (ECHA) Ynventaris - Notifisearre klassifikaasje en etikettering - meast foarkommende notifikaasjes, Europeesk Gemysk Agintskip (ECHA) Klassifikaasje- en etiketteringsynventaris - Meldde klassifikaasje en etikettering - meast serieuze meldingen |
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