![C30H29FN2O7 Uridien, 5'-O-[bis(4-metoksifeniel)fenielmetiel]-2'-deoksie-2'-fluoro- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H29FN2O7 Uridien, 5'-O-[bis(4-metoksifeniel)fenielmetiel]-2'-deoksie-2'- fluoro- (9CI, ACI) Uitgestalte beeld](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine.jpg)
C30H29FN2O7 Uridien, 5'-O-[bis(4-metoksifeniel)fenielmetiel]-2'-deoksie-2'-fluoro- (9CI, ACI)
| Sleutel Fisiese Eienskappe | Waarde | Toestand |
| Molekulêre gewig | 548,56 | - |
| Smeltpunt (eksperimenteel) | 118-120 °C | - |
| Digtheid (voorspel) | 1,38±0,1 g/cm3 | Temp: 20 °C;Druk: 760 Torr |
| pKa (Voorspel) | 9,39±0,10 | Mees suur Temp: 25 °C |
Kanoniese GLIMLAG O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2F
Isomere GLIMLAG C(OC[C@H]1O[C@H]([C@H](F)[C@@H]1O)N2C(=O)NC(=O)C=C2)(C3= CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H29FN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38- 2)15-11-21)39-18-24-27(35)26(31)28(40-24)33
-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26- ,27-,28-/m1/s1
InChI-sleutel
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Ander naam vir hierdie stof
5'-O-[Bis(4-metoksifeniel)fenielmetiel]-2'-deoksie-2'-fluorouridien (ACI)
Eiendomme beskikbaar
Termies
Termies
| Eiendom | Waarde | Toestand | Bron |
| Smeltpunt | 118-120 °C | (1) CAS | |
(1) Penjarla, Srishylam;Nukleosiede, Nukleotiede en Nukleïensure, (2018), 37(4), 232-247, CAplus
Spektra beskikbaar
1H KMR
13C KMR
| Eiendomme beskikbaar |
| Biologiese |
| Chemies |
| Digtheid |
| Lipinski |
| Struktuurverwant |
Biologiese
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 3580 | pH 1;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 3580 | pH 2;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 3580 | pH 3;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 3580 | pH 4;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 3580 | pH 5;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 3580 | pH 6;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 3570 | pH 7;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 3430 | pH 8;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 2500 | pH 9;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 689 | pH 10;Temp: 25 °C | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Chemies
| Eiendom | Waarde | Toestand | Bron |
| Koc | 12200 | pH 1;Temp: 25 °C | (1) ACD |
| Koc | 12200 | pH 2;Temp: 25 °C | (1) ACD |
| Koc | 12200 | pH 3;Temp: 25 °C | (1) ACD |
| Koc | 12200 | pH 4;Temp: 25 °C | (1) ACD |
| Koc | 12200 | pH 5;Temp: 25 °C | (1) ACD |
| Koc | 12200 | pH 6;Temp: 25 °C | (1) ACD |
| Koc | 12100 | pH 7;Temp: 25 °C | (1) ACD |
| Koc | 11700 | pH 8;Temp: 25 °C | (1) ACD |
| Koc | 8480 | pH 9;Temp: 25 °C | (1) ACD |
| Koc | 2340 | pH 10;Temp: 25 °C | (1) ACD |
| logD | 4,98 | pH 1;Temp: 25 °C | (1) ACD |
| logD | 4,98 | pH 2;Temp: 25 °C | (1) ACD |
| logD | 4,98 | pH 3;Temp: 25 °C | (1) ACD |
| logD | 4,98 | pH 4;Temp: 25 °C | (1) ACD |
| logD | 4,98 | pH 5;Temp: 25 °C | (1) ACD |
| logD | 4,98 | pH 6;Temp: 25 °C | (1) ACD |
| logD | 4,98 | pH 7;Temp: 25 °C | (1) ACD |
| logD | 4,96 | pH 8;Temp: 25 °C | (1) ACD |
| logD | 4,82 | pH 9;Temp: 25 °C | (1) ACD |
| logD | 4.26 | pH 10;Temp: 25 °C | (1) ACD |
| logP | 4,979±0,563 | Temp: 25 °C | (1) ACD |
| Massa Intrinsieke Oplosbaarheid | 9,9 x 10-5 g/L | Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 9,9 x 10-5 g/L | pH 1;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 9,9 x 10-5 g/L | pH 2;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 9,9 x 10-5 g/L | pH 3;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 9,9 x 10-5 g/L | pH 4;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 9,9 x 10-5 g/L | pH 5;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 9,9 x 10-5 g/L | pH 6;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 9,9 x 10-5 g/L | pH 7;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 9,9 x 10-5 g/L | pH 8;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,4 x 10-4 g/L | pH 9;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 5,0 x 10-4 g/L | pH 10;Temp: 25 °C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Massa Oplosbaarheid | 9,9 x 10-5 g/L | Ongebufferde water pH 7.00;Temp: 25 °C | (1) ACD |
| Molêre Intrinsieke Oplosbaarheid | 1,8 x 10-7 mol/L | Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,8 x 10-7 mol/L | pH 1;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,8 x 10-7 mol/L | pH 2;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,8 x 10-7 mol/L | pH 3;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,8 x 10-7 mol/L | pH 4;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,8 x 10-7 mol/L | pH 5;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,8 x 10-7 mol/L | pH 6;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,8 x 10-7 mol/L | pH 7;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,8 x 10-7 mol/L | pH 8;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,5 x 10-7 mol/L | pH 9;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 9,2 x 10-7 mol/L | pH 10;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,8 x 10-7 mol/L | Ongebufferde water pH 7.00;Temp: 25 °C | (1) ACD |
| Molekulêre gewig | 548,56 | ||
| pKa | 9,39±0,10 | Mees suur Temp: 25 °C | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Digtheid
| Eiendom | Waarde | Toestand | Bron |
| Digtheid | 1,38±0,1 g/cm3 | Temp: 20 °C;Druk: 760 Torr | (1) ACD |
| Molêre volume | 395,8±5,0 cm3/mol | Temp: 20 °C;Druk: 760 Torr | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare verbande | 10 | (1) ACD | |
| H Aanvaarders | 9 | (1) ACD | |
| H Skenkers | 2 | (1) ACD | |
| H Skenker/Aanvaarder Som | 11 | (1) ACD | |
| logP | 4,979±0,563 | Temp: 25 °C | (1) ACD |
| Molekulêre gewig | 548,56 |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Polêre Oppervlakte | 107 A2 | (1) ACD | |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikbaar
1H KMR
13C KMR
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