Name: 3'-DEOXYCYTIDINE
SKU: 7057-33-2

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Basic Information

Molecular Structure:
CAS No.:	7057-33-2
Name:	3'-DEOXYCYTIDINE
Article Data:	18

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