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Substance Name: 5-Bromo-2',3'-dideoxycytidine
RN: 107036-57-7
InChIKey: KCVDVEDJMJMYNW-CAHLUQPWSA-N

Molecular Formula

  • C9-H12-Br-N3-O3

Molecular Weight

  • 290.1158
 
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Names and Synonyms

Synonym

  • 5-Br-ddC

Systematic Name

  • 5-Bromo-2',3'-dideoxycytidine

Registry Numbers

CAS Registry Number

  • 107036-57-7

System Generated Number

  • 0107036577

Structure Descriptors

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

InChIKey

KCVDVEDJMJMYNW-CAHLUQPWSA-N

Smiles

c1c(c(nc(=O)n1[C@H]2CC[C@H](O2)CO)N)Br

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.5 (none)   EXP
Water Solubility 1830 mg/L 25 EST
Vapor Pressure 2.24E-09 mm Hg 25 EST
Henry's Law Constant 2.33E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.02E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.