![C34H39N3O8 Sitidien, 5′-O- [Bis (4-methoxyphenyl) fenielmetiel] -2′-O- (2-methox yethyl) -5-methyl- (9ci, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C34H39N3O8 sitidien, 5′-O- [BIS (4-methoxyphenyl) fenielmetiel] -2′-O- (2-methox yethyl) -5-methyl- (9ci, aci) het beeld](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine.jpg)
C34H39N3O8 Sitidien, 5′-O- [Bis (4-methoxyphenyl) fenielmetiel] -2′-O- (2-methox yethyl) -5-methyl- (9ci, aci)
| Belangrike fisiese eienskappe | Waarde | Toestand |
| Molekulêre gewig | 617.69 | - |
| Kookpunt (voorspel) | 762,6 ± 70,0 ° C | Druk: 760 Torr |
| Digtheid (voorspel) | 1,27 ± 0,1 g/cm3 | Temp: 20 ° C; Druk: 760 Torr |
| PKA (voorspel) | 13,31 ± 0,70 | Die meeste suur temp: 25 ° C |
Kanonieke glimlagte o = c1n = c (n) c (= cn1c2oc (coc (c = 3c = cc = cc3) (c4 = cc = c (oc) c = c4) c5 = cc = c (oc) c = c5) c (o) c2occoc) c
Isomere glimlag C (OC [C@H] 1O [C@H] ([C@H] (Occoc) [C @@ H] 1O) N2C (= O) n = C (N) C (C) = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C = C5)
Duim
INCHI = 1S/C34H39N3O8/C1-22-20-37 (33 (39) 36-31 (22) 35) 32-30 (43-19-18-40-2) 29 (38) 28 (45-32) 21-44-34 (23-8-6-5-7-7-9-23,24-10-14-14-26 (4-6-6-6-5-5-7-9-23,24-10-14-14-14-14-26 ( 1-3) 15-11-24) 25-12-16-27 (42-4) 17-13-25/H5-17,20,28-30,32,38H, 18-19,21H2,1-4H3, (H2,35,36,39)/T28-, 29-, 30-, 32-/m1/s1
Inchi -sleutel
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 ander name vir hierdie stof
5′-O- [bis (4-metoksifeniel) fenielmetiel] -2′-O- (2-metoksietiel) -5-metielcytidien (ACI); 11: PN: US20030170636 Bladsy: 17 RNA geëis; 12: PN: US20030211606 Bladsy: 18 beweer R na; 12: PN: US20030212017 Bladsy: 19 beweer R Na; 14: PN: US20040005569 PAG E: 21 beweer R na; 15: PN: US20040005565 Bladsy: 17- 22 RNA geëis; 15: PN: US20040005570 Bladsy: 19 beweer R Na; 15: PN: U S20040006030 Page: 22 beweer R Na; 15: PN: US20040014048 Bladsy: 19 beweer R na; 16: PN: US20030171313 Bladsy: 9 RNA geëis; 16: PN: US20030198965 Bladsy: 19 beweer R na; 16: PN: US20040014047 Bladsy: 19 beweer R Na; 16: PN: US20040014049 Bladsy:
19 geëis RNA; 17: PN: US20040014051 Bladsy: 21 beweer R Na; 17: PN: US20040014699 Bladsy: 19 beweer R Na; 17: PN: W
O03106645 Bladsy: 69 beweer R na; 18: PN: US20040006029 Bladsy: 22 beweer R Na; 2′-O-methoxyethyl-5′-O-DimethoxytrityL-5- metielcytidien; 58: PN: US20030166592 Bladsy: 15 beweer R Na; 5: PN: WO2005006958 Bladsy: 61 beweer R na; 7: PN: WO20050 07825 Bladsy: 61 beweer R na; 82: PN: US20040171566 Bladsy: 18 beweer R na; 89: PN: US20040005707 Bladsy: 19 beweer R NA; 9: PN: WO03084478 Bladsy: 56 beweer R na
| Eiendom beskikbaar |
| Biologies |
| Chemies |
| Digtheid |
| Lipinski |
| Struktuurverwant |
| Termies |
Biologies
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 1.56 | Ph 1; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.99 | Ph 2; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 6.19 | Ph 3; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 38.0 | Ph 4; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 116 | Ph 5; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 146 | Ph 6; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 150 | Ph 7; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 151 | Ph 8; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 151 | Ph 9; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 151 | Ph 10; Temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Chemies
| Eiendom | Waarde | Toestand | Bron |
| KOC | 13.0 | Ph 1; Temp: 25 ° C | (1) ACD |
| KOC | 16.6 | Ph 2; Temp: 25 ° C | (1) ACD |
| KOC | 51.8 | Ph 3; Temp: 25 ° C | (1) ACD |
| KOC | 318 | Ph 4; Temp: 25 ° C | (1) ACD |
| KOC | 966 | Ph 5; Temp: 25 ° C | (1) ACD |
| KOC | 1220 | Ph 6; Temp: 25 ° C | (1) ACD |
| KOC | 1260 | Ph 7; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| KOC | 1260 | Ph 8; Temp: 25 ° C | (1) ACD |
| KOC | 1260 | Ph 9; Temp: 25 ° C | (1) ACD |
| KOC | 1260 | Ph 10; Temp: 25 ° C | (1) ACD |
| logd | 1.18 | Ph 1; Temp: 25 ° C | (1) ACD |
| logd | 1.29 | Ph 2; Temp: 25 ° C | (1) ACD |
| logd | 1.78 | Ph 3; Temp: 25 ° C | (1) ACD |
| logd | 2.57 | Ph 4; Temp: 25 ° C | (1) ACD |
| logd | 3.05 | Ph 5; Temp: 25 ° C | (1) ACD |
| logd | 3.16 | Ph 6; Temp: 25 ° C | (1) ACD |
| logd | 3.17 | Ph 7; Temp: 25 ° C | (1) ACD |
| logd | 3.17 | Ph 8; Temp: 25 ° C | (1) ACD |
| logd | 3.17 | Ph 9; Temp: 25 ° C | (1) ACD |
| logd | 3.17 | Ph 10; Temp: 25 ° C | (1) ACD |
| logp | 3.169 ± 0.598 | Temp: 25 ° C | (1) ACD |
| Massa intrinsieke oplosbaarheid | 5.2 x 10-3 g/l | Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,51 g/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,40 g/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,13 g/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,020 g/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 6,8 x 10-3 g/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 5.4 x 10-3 g/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 5.3 x 10-3 g/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 5.2 x 10-3 g/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 5.2 x 10-3 g/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 5.2 x 10-3 g/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 5.3 x 10-3 g/l | Ongebufferde water pH 7,05; Temp: 25 ° C | (1) ACD |
| Molêre intrinsieke oplosbaarheid | 8,4 x 10-6 mol/l | Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 8,2 x 10-4 mol/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 6,4 x 10-4 mol/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2.1 x 10-4 mol/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 3,3 x 10-5 mol/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,1 x 10-5 mol/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molêre oplosbaarheid | 8,7 x 10-6 mol/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 8,5 x 10-6 mol/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 8,4 x 10-6 mol/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 8,4 x 10-6 mol/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 8,4 x 10-6 mol/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 8,5 x 10-6 mol/l | Ongebufferde water pH 7,05; Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 617.69 | ||
| pka | 13,31 ± 0,70 | Die meeste suur temp: 25 ° C | (1) ACD |
| pka | 4,58 ± 0,10 | Die meeste basiese temp: 25 ° C | (1) ACD |
| Dampdruk | 1,89 x 10-24 Torr | Temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Digtheid
| Eiendom | Waarde | Toestand | Bron |
| Digtheid | 1,27 ± 0,1 g/cm3 | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
| Molêre volume | 483,8 ± 7,0 cm3/mol | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare bindings | 14 | (1) ACD | |
| H Acceptors | 11 | (1) ACD | |
| H -donateurs | 3 | (1) ACD | |
| H Skenker/Acceptor Sum | 14 | (1) ACD | |
| logp | 3.169 ± 0.598 | Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 617.69 |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Pooloppervlakte | 134 A2 | (1) ACD | |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Termies
| Eiendom | Waarde | Toestand | Bron |
| Kookpunt | 762,6 ± 70,0 ° C | Druk: 760 Torr | (1) ACD |
| Entalpie van verdamping | 116,53 ± 3,0 kJ/mol | Druk: 760 Torr | (1) ACD |
| Flitspunt | 415,0 ± 35,7 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Spektra beskikbaar
1H NMR
13C NMR
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