ChemSpider 2D Image | 5-bromo-cytidinemonophosphate | C9H13BrN3O8P

5-bromo-cytidinemonophosphate

  • Molecular FormulaC9H13BrN3O8P
  • Average mass402.093 Da
  • Monoisotopic mass400.962341 Da
  • ChemSpider ID25057290

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2(1H)-Pyrimidinone, 4-amino-5-bromo-1-(5-O-phosphono-β-D-arabinofuranosyl)- [ACD/Index Name]
4-Amino-5-brom-1-(5-O-phosphono-β-D-arabinofuranosyl)-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-5-bromo-1-(5-O-phosphono-β-D-arabinofuranosyl)-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-5-bromo-1-(5-O-phosphono-β-D-arabinofuranosyl)-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
5-bromo-cytidinemonophosphate
{[(2R,3S,4S,5R)-5-(4-amino-5-bromo-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.5±0.1 g/cm3
Boiling Point: 682.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.6±6.0 kJ/mol
Flash Point: 366.8±34.3 °C
Index of Refraction: 1.811
Molar Refractivity: 70.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -5.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 123.2±7.0 dyne/cm
Molar Volume: 162.5±7.0 cm3

Click to predict properties on the Chemicalize site


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