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| CAS No.: | 7057-33-2 |
|---|---|
| Name: | 3'-DEOXYCYTIDINE |
| Molecular Structure: | |
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| Formula: | C9H13N3O4 |
| Molecular Weight: | 227.22 |
| Synonyms: | 3'-Deoxycytidine;4-Amino-1-(3-deoxy-β-D-erythro-pentofuranosyl)pyrimidin-2(1H)-on;4-Amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-2(1H)-pyrimidinone; |
| Density: | 1.73 g/cm3 |
| Melting Point: | 230-232 °C |
| Boiling Point: | 497.6 °C at 760 mmHg |
| Flash Point: | 254.8 °C |
| PSA: | 110.60000 |
| LogP: | -0.95260 |
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Specification
The Cytidine, 3'-deoxy-, with the CAS registry number 7057-33-2, has the systematic name of 3'-deoxycytidine. And the molecular formula of the chemical is C9H13N3O4. What's more, it should be stored in the dry and cool environment.
The characteristics of Cytidine, 3'-deoxy- are as followings: (1)ACD/LogP: -1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.7; (4)ACD/LogD (pH 7.4): -1.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.8; (8)ACD/KOC (pH 7.4): 2.84; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 63.6 Å2; (13)Index of Refraction: 1.719; (14)Molar Refractivity: 51.79 cm3; (15)Molar Volume: 131.1 cm3; (16)Polarizability: 20.53×10-24cm3; (17)Surface Tension: 77.8 dyne/cm; (18)Density: 1.73 g/cm3; (19)Flash Point: 254.8 °C; (20)Enthalpy of Vaporization: 88.18 kJ/mol; (21)Boiling Point: 497.6 °C at 760 mmHg; (22)Vapour Pressure: 5.47E-12 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1/N=C(/N)\C=C/N1[C@@H]2O[C@@H](C[C@H]2O)CO
(2)InChI: InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-6(14)3-5(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1
(3)InChIKey: ZHHOTKZTEUZTHX-SHYZEUOFBF