ChemSpider 2D Image | 5-[(E)-2-Bromovinyl]-1-(2-deoxy-5-O-phosphonopentofuranosyl)-2,4(1H,3H)-pyrimidinedione | C11H14BrN2O8P

5-[(E)-2-Bromovinyl]-1-(2-deoxy-5-O-phosphonopentofuranosyl)-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC11H14BrN2O8P
  • Average mass413.115 Da
  • Monoisotopic mass411.967102 Da
  • ChemSpider ID22252507

  • Double-bond stereo - Double-bond stereo

More details:

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

2,4(1H,3H)-Pyrimidinedione, 5-[(E)-2-bromoethenyl]-1-(2-deoxy-5-O-phosphonopentofuranosyl)- [ACD/Index Name]
5-[(E)-2-bromoethenyl]-1-(2-deoxy-5-O-phosphonopentofuranosyl)pyrimidine-2,4(1H,3H)-dione
5-[(E)-2-Bromovinyl]-1-(2-deoxy-5-O-phosphonopentofuranosyl)-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-[(E)-2-Bromovinyl]-1-(2-désoxy-5-O-phosphonopentofuranosyl)-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
5-[(E)-2-Bromvinyl]-1-(2-desoxy-5-O-phosphonopentofuranosyl)-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
80860-82-8 [RN]
Phosphoric acid mono-{5-[5-((E)-2-bromo-vinyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-3-hydroxy-tetrahydro-furan-2-ylmethyl} ester
Phosphoric acid mono-{5-[5-(2-bromo-vinyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-3-hydroxy-tetrahydro-furan-2-ylmethyl} ester

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.700
Molar Refractivity: 80.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.29
ACD/LogD (pH 5.5): -5.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 101.2±3.0 dyne/cm
Molar Volume: 207.4±3.0 cm3

Click to predict properties on the Chemicalize site


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