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107036-57-7

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Basic Information
CAS No.: 107036-57-7
Name: 5-Bromo-2',3'-dideoxycytidine
Article Data: 3
Molecular Structure:
Molecular Structure of 107036-57-7 (5-Bromo-2',3'-dideoxycytidine)
Formula: C9H12BrN3O3
Molecular Weight: 290.117
Synonyms: 2',3'-Dideoxy-5-bromocytidine;5-Bromo-2',3'-dideoxycytidine;
Density: 1.98 g/cm3
Boiling Point: 434.7 °C at 760 mmHg
Flash Point: 216.7 °C
PSA: 91.36000
LogP: 0.60030
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Specification

The Cytidine,5-bromo-2',3'-dideoxy- (9CI), also known as 5-Br-ddC, is an organic compound with the formula C9H12BrN3O3. With the CAS registry number 107036-57-7, its IUPAC name is 4-amino-5-bromo-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.

Physical properties of Cytidine,5-bromo-2',3'-dideoxy- (9CI): (1)#H bond acceptors: 6; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 3; (4)Index of Refraction: 1.73; (5)Molar Refractivity: 58.49 cm3; (6)Molar Volume: 146.4 cm3; (7)Surface Tension: 72.5 dyne/cm; (8)Density: 1.98 g/cm3; (9)Flash Point: 216.7 °C; (10)Enthalpy of Vaporization: 79.75 kJ/mol; (11)Boiling Point: 434.7 °C at 760 mmHg; (12)Vapour Pressure: 2.22E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC(OC1CO)N2C=C(C(=NC2=O)N)Br
(2)Isomeric SMILES: C1C[C@@H](O[C@@H]1CO)N2C=C(C(=NC2=O)N)Br
(3)InChI: InChI=1S/C9H12BrN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,12,15)/t5-,7+/m0/s1
(4)InChIKey: KCVDVEDJMJMYNW-CAHLUQPWSA-N