CAS No.84472-90-2,3'-amino-2',3'-dideoxycytidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	84472-90-2
Name:	3'-amino-2',3'-dideoxycytidine
Article Data:	6

Formula:	C₉H₁₄N₄O₃
Molecular Weight:	226.235
Synonyms:	3'-Amino-2',3'-dideoxycytidine;NSC 365107;4-Amino-1-[4-amino-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;
Density:	1.73 g/cm³
Boiling Point:	450.2 °C at 760 mmHg
Flash Point:	226 °C
PSA:	116.39000
LogP:	-0.28590

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Specification

The CAS register number of 3'-Amino-2',3'-dideoxycytidine is 84472-90-2. It also can be called as 4-Amino-1-[4-amino-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one and the IUPAC name about this chemical is 4-amino-1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one. The molecular formula about this chemical is C₉H₁₄N₄O₃and molecular weight is 226.23.

Physical properties about 3'-Amino-2',3'-dideoxycytidine are: (1)ACD/LogP: -1.92; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.58; (4)ACD/LogD (pH 7.4): -2.91; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 57.61Å²; (13)Index of Refraction: 1.743; (14)Molar Refractivity: 52.85 cm³; (15)Molar Volume: 130.6 cm³; (16)Polarizability: 20.95x10^-24cm³; (17)Surface Tension: 80.2 dyne/cm; (18)Enthalpy of Vaporization: 81.8 kJ/mol; (19)Boiling Point: 450.2 °C at 760 mmHg; (20)Vapour Pressure: 5.38E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/N=C(/N)\C=C/N1[C@@H]2O[C@@H]([C@@H](N)C2)CO
(2)InChI: InChI=1/C9H14N4O3/c10-5-3-8(16-6(5)4-14)13-2-1-7(11)12-9(13)15/h1-2,5-6,8,14H,3-4,10H2,(H2,11,12,15)/t5-,6+,8+/m0/s1
(3)InChIKey: LDQAHTVPOZCQNH-SHYZEUOFBK
(4)Std. InChI: InChI=1S/C9H14N4O3/c10-5-3-8(16-6(5)4-14)13-2-1-7(11)12-9(13)15/h1-2,5-6,8,14H,3-4,10H2,(H2,11,12,15)/t5-,6+,8+/m0/s1
(5)Std. InChIKey: LDQAHTVPOZCQNH-SHYZEUOFSA-N