![C31H32N2O8 Uridin, 5′-O- [BIS (4-methoxyphenyl) phenylmethyl] -2′-O-methyl- (9c I, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H32N2O8 Uridin, 5′-O- [BIS (4-methoxyphenyl) phenylmethyl] -2′-O-methyl- (9c I, ACI) Fremhævede billede](https://cdn.globalso.com/nvchem/C31H32N2O8-Uridine.jpg)
C31H32N2O8 Uridin, 5′-O- [BIS (4-methoxyphenyl) phenylmethyl] -2′-O-methyl- (9c I, ACI)
| Nøgle fysiske egenskaber | Værdi | Tilstand |
| Molekylvægt | 560.60 | - |
| Densitet (forudsagt) | 1,35 ± 0,1 g/cm3 | Temp: 20 ° C; Tryk på: 760 Torr |
| PKA (forudsagt) | 9,39 ± 0,10 | Mest sure temp: 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) C2OC
Isomere smil C (OC [C@H] 1O [C@H] ([C@H] (OC) [C @@ H] 1O) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = C = C5
Inchi
Inchi = 1s/C31H32N2O8/C1-37-23-13-9-21 (10-14-23) 31 (20-7-5-4-6-8-20,22-11-15-24 (38-2) 16-12-22) 40-19-25-27 (35) 28 (39-3) 29-2) 16-12-22) 40-19-25-27 (35) 28 (39-3) 29 (41-25)
33-18-17-26 (34) 32-30 (33) 36/H4-18,25,27-29,35H, 19H2,1-3H3, (H, 32,34,36)/T25-, 27-, 28-, 29-/M1/S1
Inchi Key
MfdHavfjdsrpkc-yxinzvnlsa-n
2 andre navne på dette stof
5′-O- [BIS (4-methoxyphenyl) phenylmethyl] -2′-O-methyluridin (ACI); 5′-O- (4,4′-dimethoxytrityL) -2′-O-methyluridin
Spektre tilgængelige
1H NMR
Masse
| Tilgængelige egenskaber |
| Biologisk |
| Kemisk |
| Densitet |
| Lipinski |
| Strukturrelateret |
Biologisk
| Ejendom | Værdi | Tilstand | Kilde |
| Biokoncentrationsfaktor | 1240 | pH 1; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 1240 | pH 2; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 1240 | pH 3; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 1240 | pH 4; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 1240 | pH 5; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 1240 | pH 6; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 1230 | pH 7; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 1190 | pH 8; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 861 | pH 9; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 238 | pH 10; Temp: 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 | 5690 | pH 1; Temp: 25 ° C. | (1) ACD |
| Koc | 5690 | pH 2; Temp: 25 ° C. | (1) ACD |
| Koc | 5690 | pH 3; Temp: 25 ° C. | (1) ACD |
| Koc | 5690 | pH 4; Temp: 25 ° C. | (1) ACD |
| Koc | 5690 | pH 5; Temp: 25 ° C. | (1) ACD |
| Koc | 5690 | pH 6; Temp: 25 ° C. | (1) ACD |
| Koc | 5670 | pH 7; Temp: 25 ° C. | (1) ACD |
| Koc | 5450 | pH 8; Temp: 25 ° C. | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Koc | 3960 | pH 9; Temp: 25 ° C. | (1) ACD |
| Koc | 1100 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 4.37 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 4.37 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 4.37 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 4.37 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 4.37 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 4.37 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 4.37 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 4.35 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 4.21 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 3.66 | pH 10; Temp: 25 ° C. | (1) ACD |
| Logp | 4.372 ± 0,582 | Temp: 25 ° C. | (1) ACD |
| Masse iboende opløselighed | 3,7 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,7 x 10-4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,7 x 10-4 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,7 x 10-4 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,7 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,7 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,7 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,7 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,8 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 5,3 x 10-4 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 1,9 x 10-3 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,7 x 10-4 g/l | Ubuffet vand pH 6,99; Temp: 25 ° C. | (1) ACD |
| Molær iboende opløselighed | 6,6 x 10-7 mol/l | Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 6,6 x 10-7 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 6,6 x 10-7 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 6,6 x 10-7 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 6,6 x 10-7 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 6,6 x 10-7 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 6,6 x 10-7 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Molær opløselighed | 6,6 x 10-7 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 6,8 x 10-7 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 9,4 x 10-7 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 3,4 x 10-6 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 6,6 x 10-7 mol/l | Ubuffet vand pH 6,99; Temp: 25 ° C. | (1) ACD |
| Molekylvægt | 560.60 | ||
| PKA | 9,39 ± 0,10 | Mest sure temp: 25 ° C | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Densitet
| Ejendom | Værdi | Tilstand | Kilde |
| Densitet | 1,35 ± 0,1 g/cm3 | Temp: 20 ° C; Tryk på: 760 Torr | (1) ACD |
| Molvolumen | 412,9 ± 5,0 cm3/mol | Temp: 20 ° C; Tryk på: 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 | 11 | (1) ACD | |
| H acceptorer | 10 | (1) ACD | |
| H donorer | 2 | (1) ACD | |
| H donor/acceptor sum | 12 | (1) ACD | |
| Logp | 4.372 ± 0,582 | Temp: 25 ° C. | (1) ACD |
| Molekylvægt | 560.60 |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Strukturrelateret
| Ejendom | Værdi | Tilstand | Kilde |
| Polært overfladeareal | 116 A2 | (1) ACD | |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Spektre tilgængelige
1H NMR
13c NMR
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