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3'-Amino-2',3'-dideoxycytidine

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Name

3'-Amino-2',3'-dideoxycytidine

EINECS N/A
CAS No. 84472-90-2 Density 1.73 g/cm3
PSA 116.39000 LogP -0.28590
Solubility N/A Melting Point N/A
Formula C9H14N4O3 Boiling Point 450.2 °C at 760 mmHg
Molecular Weight 226.235 Flash Point 226 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 84472-90-2 (3'-amino-2',3'-dideoxycytidine) Hazard Symbols N/A
Synonyms

3'-Amino-2',3'-dideoxycytidine;NSC 365107;4-Amino-1-[4-amino-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;

Article Data 6

3'-Amino-2',3'-dideoxycytidine 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 C9H14N4O3 and 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

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