![C34H39N3O8 Sitidien, 5'-O-[bis(4-metoksifeniel)fenielmetiel]-2'-O-(2-metoksietiel)-5-metiel- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C34H39N3O8 Sitidien, 5'-O-[bis(4-metoksifeniel)fenielmetiel]-2'-O-(2-metoksietiel)-5-metiel- (9CI, ACI) Uitstalbeeld](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine.jpg)
C34H39N3O8 Sitidien, 5'-O-[bis(4-metoksifeniel)fenielmetiel]-2'-O-(2-metoksietiel)-5-metiel- (9CI, ACI)
| Sleutel 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 | Mees suur Temp: 25 °C |
Kanoniese GLIMLAGE 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=C4)C5=CC=CC=C5
InChI
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(23-8-6-5-7-9-23,24-10-14-26(4) 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-metoksiediel)-5-metielsitidine (ACI); 11: PN: US20030170636 BLADSY: 17 geëis RNA; 12: PN: US20030211606 BLADSY: 18 geëis R NA; 12: PN: US20030212017 BLADSY: 19 geëis R NA; 14: PN: US20040005569 PAG E: 21 geëis R NA; 15: PN: US20040005565 BLADSY: 17- 22 geëis RNA; 15: PN: US20040005570 BLADSY: 19 geëis R NA; 15: PN: U S20040006030 BLADSY: 22 geëis R NA; 15: PN: US20040014048 BLADSY: 19 geëis R NA; 16: PN: US20030171313 BLADSY: 9 geëis RNA; 16: PN: US20030198965 BLADSY: 19 geëis R NA; 16: PN: US20040014047 BLADSY: 19 geëis R NA; 16: PN: US20040014049 BLADSY:
19 het RNA geëis; 17: PN: US20040014051 BLADSY: 21 geëis R NA; 17: PN: US20040014699 BLADSY: 19 geëis R NA; 17: PN: W
O03106645 BLADSY: 69 geëis R NA; 18: PN: US20040006029 BLADSY: 22 geëis R NA; 2'-O-Metoksietiel-5'-O-dimetoksitritiel-5-metielsitidine; 58: PN: US20030166592 BLADSY: 15 geëis R NA; 5: PN: WO2005006958 BLADSY: 61 geëis R NA; 7: PN: WO20050 07825 BLADSY: 61 geëis R NA; 82: PN: US20040171566 BLADSY: 18 geëis R NA; 89: PN: US20040005707 BLADSY: 19 geëis R NA; 9: PN: WO03084478 BLADSY: 56 geëis R NA
| Eiendomme beskikbaar |
| Biologiese |
| Chemies |
| Digtheid |
| Lipinski |
| Struktuurverwant |
| Termies |
Biologiese
| 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 deur gebruik te maak van Advanced Chemistry Development (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 | Mees suur Temp: 25 °C | (1) ACD |
| pKa | 4,58±0,10 | Mees Basiese Temp: 25 °C | (1) ACD |
| Dampdruk | 1,89 x 10-24 Torr | 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 | 1,27±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 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 | 14 | (1) ACD | |
| H Aanvaarders | 11 | (1) ACD | |
| H Skenkers | 3 | (1) ACD | |
| H Skenker/Aanvaarder Som | 14 | (1) ACD | |
| logP | 3,169±0,598 | Temp: 25 °C | (1) ACD |
| Molekulêre gewig | 617,69 |
(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 | 134 A2 | (1) ACD | |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (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 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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