![C39H46FN4O8P Uridine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-deoksy-2′-fluoro-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)fosforamidyt] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H46FN4O8P Uridine, 5′-O- [bis(4-metoksyfenyl)fenylmetyl]-2′-deoksy-2′-fluoro-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)fosforamidyt] (ACI) Featured Image](https://cdn.globalso.com/nvchem/C39H46FN4O8P-Uridine.png)
C39H46FN4O8P Uridine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-deoksy-2′-fluoro-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)fosforamidyt] (ACI)
CAS-registraasjenûmer
146954-75-8
| Wichtige fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 748.78 | - |
| pKa (Foarsein) | 9.39±0.10 | Soerste temperatuer: 25 °C |
Kanonike SMILES
N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(=O)NC5=O)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](F)[C@@H](O1)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C= C4)C5=CC=CC=C5
YnChI
InChI= 1S/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43-23-21-34(45)42-49-81(45)42-49(31) -8-7-9-12-28,29-13-17-31(47-5)18-14-29)30-15-19-32(48-6)20-16-3 0/h7-9,11-21,23,26-27,33,35-37H,10,24-25H2,1-6H3,(H,42,45,46)/t3 3-,35-,36-,37-,53?/m1/s1
InChI-kaai
HQHQPAYRJJMYQX-DJTPZYMWSA-N
1 Oare namme foar dizze stof
Uridine, 5′ -O- [bis(4-metoksyfenyl)fenylmetyl]-2′-deoksy-2′-fluoro-, 3′-[2-cyanoethyl bis(1-methylethyl)fosforamidyt] (9CI)
Beskikbere eigenskippen
Biologysk
Gemysk
Lipinski
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 457 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 3690 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 27700 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 82900 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.04 x 105 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.06 x 105 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.06 x 105 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.02 x 105 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 76200 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 22000 | pH 10; Temperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Eigendomswearde Tastân Boarne |
| Koc 592 pH 1; Temp: 25 °C (1) ACD |
| Koc 4790 pH 2; Temp: 25 °C (1) ACD |
| Koc 36000 pH 3; Temp: 25 °C (1) ACD |
| Koc 1.07 x 105 pH 4; Temp: 25 °C (1) ACD |
| Koc 1.34 x 105 pH 5; Temp: 25 °C (1) ACD |
| Koc 1.38 x 105 pH 6; Temp: 25 °C (1) ACD |
| Koc 1.37 x 105 pH 7; Temp: 25 °C (1) ACD |
| Koc 1.33 x 105 pH 8; Temp: 25 °C (1) ACD |
| Koc 98800 pH 9; Temp: 25 °C (1) ACD |
| Koc 28600 pH 10; Temp: 25 °C (1) ACD |
| logD 4.55 pH 1; Temp: 25 °C (1) ACD |
| logD 5.46 pH 2; Temp: 25 °C (1) ACD |
| logD 6.33 pH 3; Temp: 25 °C (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| logD | 6.81 | pH 4; Temperatuer: 25 °C | (1) ACD |
| logD | 6.91 | pH 5; Temperatuer: 25 °C | (1) ACD |
| logD | 6.92 | pH 6; Temperatuer: 25 °C | (1) ACD |
| logD | 6.92 | pH 7; Temperatuer: 25 °C | (1) ACD |
| logD | 6.90 | pH 8; Temperatuer: 25 °C | (1) ACD |
| logD | 6.77 | pH 9; Temperatuer: 25 °C | (1) ACD |
| logD | 6.23 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logP | 6.918±0.641 | Temperatuer: 25 °C | (1) ACD |
| Massa yntrinsike oplosberens | 2,2 x 10-5 g/L | Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 5,1 x 10-3 g/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 6,3 x 10-4 g/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 8,2 x 10-5 g/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,8 x 10-5 g/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,2 x 10-5 g/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,2 x 10-5 g/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,2 x 10-5 g/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,2 x 10-5 g/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 3,0 x 10-5 g/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,0 x 10-4 g/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,2 x 10-5 g/L | Unbufferd wetter pH 7.00; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 2,9 x 10-8 mol/L | Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 6,8 x 10-6 mol/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 8,4 x 10-7 mol/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,1 x 10-7 mol/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,7 x 10-8 mol/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,0 x 10-8 mol/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,9 x 10-8 mol/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,9 x 10-8 mol/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,0 x 10-8 mol/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 4,0 x 10-8 mol/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,4 x 10-7 mol/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,9 x 10-8 mol/L | Unbufferd wetter pH 7.00; Temp: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Molekulêr gewicht | 748.78 | ||
| pKa | 9.39±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 | 17 | (1) ACD | |
| H-akseptors | 12 | (1) ACD | |
| H Donateurs | 1 | (1) ACD | |
| H Donor/Akseptor Som | 13 | (1) ACD | |
| logP | 6.918±0.641 | Temperatuer: 25 °C | (1) ACD |
| Molekulêr gewicht | 748.78 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Boarne fan 'e tastân |
| Poaloerflak | 145 A2 | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
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