![C34H39N3O8 Cytidin, 5′-O- [BIS (4-methoxyphenyl) phenylmethyl] -2′-O- (2-methox yethyl) -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-methox yethyl) -5-methyl- (9CI, ACI) Fremhævede billede](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine.jpg)
C34H39N3O8 Cytidin, 5′-O- [BIS (4-methoxyphenyl) phenylmethyl] -2′-O- (2-methox yethyl) -5-methyl- (9CI, ACI)
| Nøgle fysiske egenskaber | Værdi | Tilstand |
| Molekylvægt | 617.69 | - |
| Kogepunkt (forudsagt) | 762,6 ± 70,0 ° C. | Tryk på: 760 Torr |
| Densitet (forudsagt) | 1,27 ± 0,1 g/cm3 | Temp: 20 ° C; Tryk på: 760 Torr |
| PKA (forudsagt) | 13,31 ± 0,70 | Mest sure temp: 25 ° C |
Kanoniske smil 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 smil 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 = C = C = 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 (23-8-5-5-7-9-9-23,24-10-14-26 (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 Key
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 andre navne på dette stof
5′-O- [BIS (4-methoxyphenyl) phenylmethyl] -2′-O- (2-methoxyethyl) -5-methylcytidin (ACI); 11: PN: US20030170636 Side: 17 hævdede RNA; 12: PN: US20030211606 Side: 18 hævdede R NA; 12: PN: US20030212017 Side: 19 hævdede R NA; 14: PN: US20040005569 Pag E: 21 hævdede R NA; 15: PN: US20040005565 Side: 17-22 hævdede RNA; 15: PN: US20040005570 Side: 19 hævdede R NA; 15: PN: U S20040006030 Side: 22 hævdede R NA; 15: PN: US20040014048 Side: 19 hævdede R NA; 16: PN: US20030171313 Side: 9 hævdede RNA; 16: PN: US20030198965 Side: 19 hævdede R NA; 16: PN: US20040014047 Side: 19 hævdede R NA; 16: PN: US20040014049 Side:
19 hævdede RNA; 17: PN: US20040014051 Side: 21 hævdede R NA; 17: PN: US20040014699 Side: 19 hævdede R NA; 17: PN: w
O03106645 Side: 69 hævdede r na; 18: PN: US20040006029 Side: 22 hævdede R NA; 2′-O-methoxyethyl-5′-O-dimethoxytrityL-5-methylcytidin; 58: PN: US20030166592 Side: 15 hævdede R NA; 5: PN: WO2005006958 Side: 61 hævdede R NA; 7: PN: WO20050 07825 Side: 61 hævdede R NA; 82: PN: US20040171566 Side: 18 hævdede R NA; 89: PN: US20040005707 Side: 19 hævdede R NA; 9: PN: WO03084478 Side: 56 hævdede R NA
| Tilgængelige egenskaber |
| Biologisk |
| Kemisk |
| Densitet |
| Lipinski |
| Strukturrelateret |
| Termisk |
Biologisk
| Ejendom | Værdi | Tilstand | Kilde |
| Biokoncentrationsfaktor | 1,56 | pH 1; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 1.99 | pH 2; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 6.19 | pH 3; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 38.0 | pH 4; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 116 | pH 5; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 146 | pH 6; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 150 | pH 7; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 151 | pH 8; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 151 | pH 9; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 151 | 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 | 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 |
| Ejendom | Værdi | Tilstand | Kilde |
| 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 |
| Masse iboende opløselighed | 5,2 x 10-3 g/l | Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 0,51 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 0,40 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 0,13 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 0,020 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 6,8 x 10-3 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 5,4 x 10-3 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 5,3 x 10-3 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 5,2 x 10-3 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 5,2 x 10-3 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 5,2 x 10-3 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 5,3 x 10-3 g/l | Ubuffet vand pH 7,05; Temp: 25 ° C. | (1) ACD |
| Molær iboende opløselighed | 8,4 x 10-6 mol/l | Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 8,2 x 10-4 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 6,4 x 10-4 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 2,1 x 10-4 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 3,3 x 10-5 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 1,1 x 10-5 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Molær opløselighed | 8,7 x 10-6 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 8,5 x 10-6 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 8,4 x 10-6 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 8,4 x 10-6 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 8,4 x 10-6 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 8,5 x 10-6 mol/l | Ubuffet vand pH 7,05; Temp: 25 ° C. | (1) ACD |
| Molekylvægt | 617.69 | ||
| PKA | 13,31 ± 0,70 | Mest sure temp: 25 ° C | (1) ACD |
| PKA | 4,58 ± 0,10 | Mest basale temp: 25 ° C | (1) ACD |
| Damptryk | 1,89 x 10-24 torr | 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 | 1,27 ± 0,1 g/cm3 | Temp: 20 ° C; Tryk på: 760 Torr | (1) ACD |
| Molvolumen | 483,8 ± 7,0 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 | 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 | Temp: 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 på: 760 Torr | (1) ACD |
| Entalpi af fordampning | 116,53 ± 3,0 kJ/mol | Tryk på: 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)
Spektre tilgængelige
1H NMR
13c NMR
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