![C30H29FN2O7 Uridin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluor- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H29FN2O7 Uridin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluor- (9CI, ACI) Udvalgt billede](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine.jpg)
C30H29FN2O7 Uridin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluor- (9CI, ACI)
| Vigtige fysiske egenskaber | Værdi | Tilstand |
| Molekylær vægt | 548,56 | - |
| Smeltepunkt (eksperimentelt) | 118-120 °C | - |
| Tæthed (forudsagt) | 1,38±0,1 g/cm3 | Temp: 20 °C;Tryk: 760 Torr |
| pKa (forudsagt) | 9,39±0,10 | Mest sure temperatur: 25 °C |
Kanoniske SMIL 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 SMIL 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 nøgle
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Andet navn for dette stof
5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoruridin (ACI)
Egenskaber til rådighed
Termisk
Termisk
| Ejendom | Værdi | Tilstand | Kilde |
| Smeltepunkt | 118-120 °C | (1) CAS | |
(1) Penjarla, Srishylam;Nukleosider, nukleotider og nukleinsyrer, (2018), 37(4), 232-247, CAplus
Spectra tilgængelige
1H NMR
13C NMR
| Egenskaber til rådighed |
| Biologisk |
| Kemisk |
| Massefylde |
| Lipinski |
| Strukturrelateret |
Biologisk
| Ejendom | Værdi | Tilstand | Kilde |
| Biokoncentrationsfaktor | 3580 | pH 1;Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 3580 | pH 2;Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 3580 | pH 3;Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 3580 | pH 4;Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 3580 | pH 5;Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 3580 | pH 6;Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 3570 | pH 7;Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 3430 | pH 8;Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 2500 | pH 9;Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 689 | pH 10;Temperatur: 25 °C | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kemisk
| Ejendom | Værdi | Tilstand | Kilde |
| Koc | 12200 | pH 1;Temperatur: 25 °C | (1) ACD |
| Koc | 12200 | pH 2;Temperatur: 25 °C | (1) ACD |
| Koc | 12200 | pH 3;Temperatur: 25 °C | (1) ACD |
| Koc | 12200 | pH 4;Temperatur: 25 °C | (1) ACD |
| Koc | 12200 | pH 5;Temperatur: 25 °C | (1) ACD |
| Koc | 12200 | pH 6;Temperatur: 25 °C | (1) ACD |
| Koc | 12100 | pH 7;Temperatur: 25 °C | (1) ACD |
| Koc | 11700 | pH 8;Temperatur: 25 °C | (1) ACD |
| Koc | 8480 | pH 9;Temperatur: 25 °C | (1) ACD |
| Koc | 2340 | pH 10;Temperatur: 25 °C | (1) ACD |
| logD | 4,98 | pH 1;Temperatur: 25 °C | (1) ACD |
| logD | 4,98 | pH 2;Temperatur: 25 °C | (1) ACD |
| logD | 4,98 | pH 3;Temperatur: 25 °C | (1) ACD |
| logD | 4,98 | pH 4;Temperatur: 25 °C | (1) ACD |
| logD | 4,98 | pH 5;Temperatur: 25 °C | (1) ACD |
| logD | 4,98 | pH 6;Temperatur: 25 °C | (1) ACD |
| logD | 4,98 | pH 7;Temperatur: 25 °C | (1) ACD |
| logD | 4,96 | pH 8;Temperatur: 25 °C | (1) ACD |
| logD | 4,82 | pH 9;Temperatur: 25 °C | (1) ACD |
| logD | 4,26 | pH 10;Temperatur: 25 °C | (1) ACD |
| logP | 4,979±0,563 | Temperatur: 25 °C | (1) ACD |
| Masse iboende opløselighed | 9,9 x 10-5 g/L | Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 9,9 x 10-5 g/L | pH 1;Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 9,9 x 10-5 g/L | pH 2;Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 9,9 x 10-5 g/L | pH 3;Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 9,9 x 10-5 g/L | pH 4;Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 9,9 x 10-5 g/L | pH 5;Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 9,9 x 10-5 g/L | pH 6;Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 9,9 x 10-5 g/L | pH 7;Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 9,9 x 10-5 g/L | pH 8;Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 1,4 x 10-4 g/L | pH 9;Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 5,0 x 10-4 g/L | pH 10;Temperatur: 25 °C | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Masseopløselighed | 9,9 x 10-5 g/L | Upufret vand pH 7,00;Temperatur: 25 °C | (1) ACD |
| Molær indre opløselighed | 1,8 x 10-7 mol/L | Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,8 x 10-7 mol/L | pH 1;Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,8 x 10-7 mol/L | pH 2;Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,8 x 10-7 mol/L | pH 3;Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,8 x 10-7 mol/L | pH 4;Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,8 x 10-7 mol/L | pH 5;Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,8 x 10-7 mol/L | pH 6;Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,8 x 10-7 mol/L | pH 7;Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,8 x 10-7 mol/L | pH 8;Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 2,5 x 10-7 mol/L | pH 9;Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 9,2 x 10-7 mol/L | pH 10;Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,8 x 10-7 mol/L | Upufret vand pH 7,00;Temperatur: 25 °C | (1) ACD |
| Molekylær vægt | 548,56 | ||
| pKa | 9,39±0,10 | Mest sure temperatur: 25 °C | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Massefylde
| Ejendom | Værdi | Tilstand | Kilde |
| Massefylde | 1,38±0,1 g/cm3 | Temp: 20 °C;Tryk: 760 Torr | (1) ACD |
| Molar volumen | 395,8±5,0 cm3/mol | Temp: 20 °C;Tryk: 760 Torr | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ejendom | Værdi | Tilstand | Kilde |
| Frit roterbare obligationer | 10 | (1) ACD | |
| H Acceptorer | 9 | (1) ACD | |
| H Donorer | 2 | (1) ACD | |
| H Donor/Acceptorsum | 11 | (1) ACD | |
| logP | 4,979±0,563 | Temperatur: 25 °C | (1) ACD |
| Molekylær vægt | 548,56 |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Strukturrelateret
| Ejendom | Værdi | Tilstand | Kilde |
| Polar overfladeareal | 107 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
![C33H35N3O8 Cytidin, N-acetyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine-300x300.jpg)
![C50H60N5O10P Cytidin, N-benzoyl-5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-O- (2-methoxyethyl)- 5-methyl-, 3' – [2-cyanoethyl N,N-bis (1-methylethyl)phosphoramidit] (ACI)](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine-300x300.png)
![L-Ornithinamid, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI) H335, H319, H315, H302](https://cdn.globalso.com/nvchem/L-Ornithinamide-300x300.jpg)
![C48H54N7O8P Adenosin, N-benzoyl-5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2' – O-methyl-, 3' – [2-cyanoethyl-N,N-bis(1-methylethyl)phosphoramidit] (ACI)](https://cdn.globalso.com/nvchem/C48H54N7O8P-300x300.png)
![C45H56N7O9P Guanosin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-N-(2-methyl-1-oxopropyl)-, 3' – [2-cyanoethyl N,N-bis (1-methylethyl)phosphoramidit] (ACI)](https://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)