![C34H39N3O8 Cytidine, 5'-O- [bis (IV-metoxyphen) Phenylmethyl] -2' -2 'o- (II-methtero yethyl) -2 (II-methtero yethyl) -5-methyl- (9ci, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C34H39N3O8 Cytidine, 5'-O- [bis (IV-methoxyphen) Phenylmethyl] -2' -2' -2 (II-methtero yethyl) -5-methyl- (9CI, ACI) Featured](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine.jpg)
C34H39N3O8 Cytidine, 5'-O- [bis (IV-metoxyphen) Phenylmethyl] -2' -2 'o- (II-methtero yethyl) -2 (II-methtero yethyl) -5-methyl- (9ci, aci)
| Key physica proprietatibus | Valor | Conditio |
| Pondus | 617,69 | - |
| Ferveret (praedicta) | 762,6 ± 70.0 ° | Press: DCCLX Torr |
| Density (praedicta) | 1.27 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr |
| Pka (praedicta) | 13.31 ± 0.70 | Most Acidic Temp: XXV ° C |
Canonical 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
Isomerici risum dat C (O [c @ h] 1o [c @ h] (c ^ - c ^ = c (c = c5 = (c ^ = c5 c.
INCHI
Inchi = 1s / C34H39N3O8 / C1-22-20-37 (XXXIII (XXXIX) 36-31 (XXII) XXXV) 32-30 (43-19-18-40-2) XXIX (XXXVIII) XXVIII (45-32) 21-4-34 (23-8-6-5-7-9-23,24-10-14-26 (IV 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
Key Inchi
Lyktvjjxzqtnpk, pbamblimolusa, n
XXIV aliis nominibus pro hac substantia
5-o- [bis (IV-metoxyphen) phenylmethyl] -2' -2' -2 (II-methoxyethyl) -5-methylcytidine (aci); XI: PN: US20030170636 Page: XVII petita RNA; XII: PN: US20030211606 Page: XVIII petita r na; XII: PN: US20030212017 Page: XIX petita r na; XIV: Pag: us20040005569 Pag E: XXI petita r na; XV: PN: US20040005565 Page: 17- XXII petita RNA; XV: PN: US20040005570 Page: XIX petita r na; XV: PN: U S20040006030 Page: XXII petita r na; XV: PN: US20040014048 Page: XIX petita r na; XVI: PN: US20030171313 Page: IX petita RNA; XVI: PN: US20030198965 Page: XIX petita r na; XVI: PN: US20040014047 Page: XIX petita r na; XVI: PN: US20040014049 Page:
XIX petita RNA; XVII: PN: US20040014051 Page: XXI petita r na; XVII: PN: US20040014699 Page: XIX petita r na; XVII: PN: W
O03106645 Page: LXIX petita r na; XVIII: PN: US20040006029 Page: XXII petita r na; 2'-o-methoxyethyl, 5'-o-DimethoxyTrityl, 5. methylcytidine; LVIII: PN: US20030166592 Page: XV petita r na; V: PN: Wo2005006958 Page: LXI petita r na; VII: PN: Wo20050 (VII) DCCXXV Page: LXI petita r na; LXXXII: PN: US20040171566 Page: XVIII petita r na; LXXXIX: PN: US20040005707 Page: XIX petita r na; IX: PN: Wo03084478 Page: LVI petita r na
| Proprietatibus praesto |
| Biological |
| Proiectus |
| Densitas |
| Lipinski |
| Structuram related |
| Scelerum |
Biological
| Res | Valor | Conditio | Fons |
| Bioconcentration factor | 1.56 | PH I; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.99 | PH II; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 6.19 | PH III; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 38.0 | PH IV; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | CXVI | PH V; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | CXLVI | Ph VI; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | CL | PH VII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | CLI | PH VIII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | CLI | PH IX; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | CLI | PH X; Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Proiectus
| Res | Valor | Conditio | Fons |
| Koc | 13.0 | PH I; Temp: XXV ° C | (I) ACD |
| Koc | 16.6 | PH II; Temp: XXV ° C | (I) ACD |
| Koc | 51.8 | PH III; Temp: XXV ° C | (I) ACD |
| Koc | CCCXVIII | PH IV; Temp: XXV ° C | (I) ACD |
| Koc | CMLXVI | PH V; Temp: XXV ° C | (I) ACD |
| Koc | MCCXX | Ph VI; Temp: XXV ° C | (I) ACD |
| Koc | MCCLX | PH VII; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Koc | MCCLX | PH VIII; Temp: XXV ° C | (I) ACD |
| Koc | MCCLX | PH IX; Temp: XXV ° C | (I) ACD |
| Koc | MCCLX | PH X; Temp: XXV ° C | (I) ACD |
| logd | 1.18 | PH I; Temp: XXV ° C | (I) ACD |
| logd | 1.29 | PH II; Temp: XXV ° C | (I) ACD |
| logd | 1.78 | PH III; Temp: XXV ° C | (I) ACD |
| logd | 2.57 | PH IV; Temp: XXV ° C | (I) ACD |
| logd | 3.05 | PH V; Temp: XXV ° C | (I) ACD |
| logd | 3,16 | Ph VI; Temp: XXV ° C | (I) ACD |
| logd | 3.17 | PH VII; Temp: XXV ° C | (I) ACD |
| logd | 3.17 | PH VIII; Temp: XXV ° C | (I) ACD |
| logd | 3.17 | PH IX; Temp: XXV ° C | (I) ACD |
| logd | 3.17 | PH X; Temp: XXV ° C | (I) ACD |
| logp | 3,169 ± 0.598 | Temp: XXV ° C | (I) ACD |
| Missam intrinsecam solubility | 5.2 x 10-3 g / l | Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.51 G / l | PH I; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0,40 g / l | PH II; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0,13 G / l | PH III; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.020 g / l | PH IV; Temp: XXV ° C | (I) ACD |
| Missam solubility | 6.8 X 10-3 g / l | PH V; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.4 x 10-3 g / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.3 X 10-3 g / l | PH VII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.2 x 10-3 g / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.2 x 10-3 g / l | PH IX; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.2 x 10-3 g / l | PH X; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.3 X 10-3 g / l | Unbuffered aqua PH 7.05; Temp: XXV ° C | (I) ACD |
| Molaris intrinsecam solubility | 8.4 x 10-6 Mol / l | Temp: XXV ° C | (I) ACD |
| Molaris solubility | 8.2 x 10-4 Mol / l | PH I; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6,4 X 10-4 Mol / l | PH II; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 2.1 X 10-4 Mol / l | PH III; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 3,3 x 10-5 Mol / l | PH IV; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.1 X 10-5 Mol / l | PH V; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Molaris solubility | X 8,7 10-6 Mol / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 8.5 x 10-6 Mol / l | PH VII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 8.4 x 10-6 Mol / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 8.4 x 10-6 Mol / l | PH IX; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 8.4 x 10-6 Mol / l | PH X; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 8.5 x 10-6 Mol / l | Unbuffered aqua PH 7.05; Temp: XXV ° C | (I) ACD |
| Pondus | 617,69 | ||
| PKA | 13.31 ± 0.70 | Most Acidic Temp: XXV ° C | (I) ACD |
| PKA | 4.58 ± 0.10 | Maxime basic temp: XXV ° | (I) ACD |
| Vapor | 1.89 x 10-24 Torr | Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densitas
| Res | Valor | Conditio | Fons |
| Densitas | 1.27 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
| Molaris volumine | 483,8 ± 7.0 CM3 / mol | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Res | Valor | Conditio | Fons |
| Sponte Rotatable vincula | 14 | (I) ACD | |
| H acceptors | 11 | (I) ACD | |
| H donos | 3 | (I) ACD | |
| H donator / Acceptor Sum | 14 | (I) ACD | |
| logp | 3,169 ± 0.598 | Temp: XXV ° C | (I) ACD |
| Pondus | 617,69 |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Structuram related
| Res | Valor | Conditio | Fons |
| Polar superficies regio | CXXXIV A2 | (I) ACD | |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Scelerum
| Res | Valor | Conditio | Fons |
| PRAETERITUS | 762,6 ± 70.0 ° | Press: DCCLX Torr | (I) ACD |
| Enthalpy vaporation | 116.53 ± 3.0 KJ / mol | Press: DCCLX Torr | (I) ACD |
| Flash Point | 415,0 ± 35.7 ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra praesto
1h NMR
13c NMR
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