![C34H39N3O8 Cytidin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-5-methyl- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C34H39N3O8 Cytidin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-5-methyl- (9CI, ACI) Fremhævet billede](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine.jpg)
C34H39N3O8 Cytidin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-5-methyl- (9CI, ACI)
| Vigtige fysiske egenskaber | Værdi | Tilstand |
| Molekylvægt | 617,69 | - |
| Kogepunkt (forudsagt) | 762,6±70,0 °C | Tryk: 760 Torr |
| Densitet (forudsagt) | 1,27 ± 0,1 g/cm3 | Temperatur: 20 °C; Tryk: 760 Torr |
| pKa (forudsagt) | 13,31±0,70 | Mest sure temperatur: 25 °C |
Kanoniske SMILES 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 SMILES 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)/t2-1-/m, 2-18-/m,
InChI-nøgle
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 andre navne for dette stof
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidin (ACI); 11: PN: US20030170636 SIDE: 17 påstået RNA; 12: PN: US20030211606 SIDE: 18 påstået R NA; 12: PN: US20030212017 SIDE: 19 påstået R NA; 14: PN: US20040005569 SIDE E: 21 påstået R NA; 15: PN: US20040005565 SIDE: 17-22 påstået RNA; 15: PN: US20040005570 SIDE: 19 påstået R NA; 15: PN: U S20040006030 SIDE: 22 påstået R NA; 15: PN: US20040014048 SIDE: 19 påstået R NA; 16: PN: US20030171313 SIDE: 9 påstået RNA; 16: PN: US20030198965 SIDE: 19 påstået R NA; 16: PN: US20040014047 SIDE: 19 påstået R NA; 16: PN: US20040014049 SIDE:
19 påstået RNA; 17: PN: US20040014051 SIDE: 21 påstået R NA; 17: PN: US20040014699 SIDE: 19 påstået R NA; 17: PN: W
O03106645 SIDE: 69 angivet R NA; 18: PN: US20040006029 SIDE: 22 angivet R NA; 2'-O-Methoxyethyl-5'-O-dimethoxytrityl-5-methylcytidin; 58: PN: US20030166592 SIDE: 15 angivet R NA; 5: PN: WO2005006958 SIDE: 61 angivet R NA; 7: PN: WO20050 07825 SIDE: 61 angivet R NA; 82: PN: US20040171566 SIDE: 18 angivet R NA; 89: PN: US20040005707 SIDE: 19 angivet R NA; 9: PN: WO03084478 SIDE: 56 angivet R NA
| Tilgængelige ejendomme |
| Biologisk |
| Kemisk |
| Tæthed |
| Lipinski |
| Strukturrelateret |
| Termisk |
Biologisk
| Ejendom | Værdi | Tilstand | Kilde |
| Biokoncentrationsfaktor | 1,56 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 1,99 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 6.19 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 38,0 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 116 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 146 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 150 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 151 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 151 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 151 | 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 | 13.0 | pH 1; Temperatur: 25 °C | (1) ACD |
| Koc | 16,6 | pH 2; Temperatur: 25 °C | (1) ACD |
| Koc | 51,8 | pH 3; Temperatur: 25 °C | (1) ACD |
| Koc | 318 | pH 4; Temperatur: 25 °C | (1) ACD |
| Koc | 966 | pH 5; Temperatur: 25 °C | (1) ACD |
| Koc | 1220 | pH 6; Temperatur: 25 °C | (1) ACD |
| Koc | 1260 | pH 7; Temperatur: 25 °C | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Koc | 1260 | pH 8; Temperatur: 25 °C | (1) ACD |
| Koc | 1260 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 1260 | pH 10; Temperatur: 25 °C | (1) ACD |
| logD | 1.18 | pH 1; Temperatur: 25 °C | (1) ACD |
| logD | 1,29 | pH 2; Temperatur: 25 °C | (1) ACD |
| logD | 1,78 | pH 3; Temperatur: 25 °C | (1) ACD |
| logD | 2,57 | pH 4; Temperatur: 25 °C | (1) ACD |
| logD | 3,05 | pH 5; Temperatur: 25 °C | (1) ACD |
| logD | 3.16 | pH 6; Temperatur: 25 °C | (1) ACD |
| logD | 3.17 | pH 7; Temperatur: 25 °C | (1) ACD |
| logD | 3.17 | pH 8; Temperatur: 25 °C | (1) ACD |
| logD | 3.17 | pH 9; Temperatur: 25 °C | (1) ACD |
| logD | 3.17 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 3,169±0,598 | Temperatur: 25 °C | (1) ACD |
| Masse iboende opløselighed | 5,2 x 10-3 g/L | Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 0,51 g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 0,40 g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 0,13 g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 0,020 g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 6,8 x 10-3 g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 5,4 x 10-3 g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 5,3 x 10-3 g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 5,2 x 10-3 g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 5,2 x 10-3 g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 5,2 x 10-3 g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 5,3 x 10-3 g/L | Ubufret vand pH 7,05; Temperatur: 25 °C | (1) ACD |
| Molær intrinsisk opløselighed | 8,4 x 10⁻⁶ mol/L | Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 8,2 x 10⁻⁴ mol/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 6,4 x 10⁻⁴ mol/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 2,1 x 10⁻⁴ mol/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 3,3 x 10-5 mol/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,1 x 10-5 mol/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Molær opløselighed | 8,7 x 10⁻⁶ mol/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 8,5 x 10⁻⁶ mol/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 8,4 x 10⁻⁶ mol/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 8,4 x 10⁻⁶ mol/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 8,4 x 10⁻⁶ mol/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 8,5 x 10⁻⁶ mol/L | Ubufret vand pH 7,05; Temperatur: 25 °C | (1) ACD |
| Molekylvægt | 617,69 | ||
| pKa | 13,31±0,70 | Mest sure temperatur: 25 °C | (1) ACD |
| pKa | 4,58±0,10 | Mest grundlæggende temperatur: 25 °C | (1) ACD |
| Damptryk | 1,89 x 10⁻² Torr | Temperatur: 25 °C | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tæthed
| Ejendom | Værdi | Tilstand | Kilde |
| Tæthed | 1,27 ± 0,1 g/cm3 | Temperatur: 20 °C; Tryk: 760 Torr | (1) ACD |
| Molært volumen | 483,8±7,0 cm3/mol | Temperatur: 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 | 14 | (1) ACD | |
| H-acceptorer | 11 | (1) ACD | |
| H-donorer | 3 | (1) ACD | |
| H Donor/Acceptor Sum | 14 | (1) ACD | |
| logP | 3,169±0,598 | Temperatur: 25 °C | (1) ACD |
| Molekylvægt | 617,69 |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Strukturrelateret
| Ejendom | Værdi | Tilstand | Kilde |
| Polært overfladeareal | 134 A2 | (1) ACD | |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Termisk
| Ejendom | Værdi | Tilstand | Kilde |
| Kogepunkt | 762,6±70,0 °C | Tryk: 760 Torr | (1) ACD |
| Fordampningens entalpi | 116,53 ± 3,0 kJ/mol | Tryk: 760 Torr | (1) ACD |
| Flammepunkt | 415,0±35,7 °C | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tilgængelige spektre
1H-NMR
13C NMR
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