ChemSpider 2D Image | 4-Amino-5-[(E)-2-bromovinyl]-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2(1H)-pyrimidinone | C12H16BrN3O3

4-Amino-5-[(E)-2-bromovinyl]-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2(1H)-pyrimidinone

  • Molecular FormulaC12H16BrN3O3
  • Average mass330.178 Da
  • Monoisotopic mass329.037506 Da
  • ChemSpider ID23224113
  • Double-bond stereo - Double-bond stereo


More details:






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

2(1H)-Pyrimidinone, 4-amino-5-[(E)-2-bromoethenyl]-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]- [ACD/Index Name]
4-amino-5-[(E)-2-bromoethenyl]-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2(1H)-one
4-Amino-5-[(E)-2-bromovinyl]-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-5-[(E)-2-bromovinyl]-1-[3-hydroxy-4-(hydroxyméthyl)cyclopentyl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4-Amino-5-[(E)-2-bromvinyl]-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-5-(2-bromo-vinyl)-1-(3-hydroxy-4-hydroxymethyl-cyclopentyl)-1H-pyrimidin-2-one
95313-04-5 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 479.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.7±6.0 kJ/mol
Flash Point: 243.8±31.5 °C
Index of Refraction: 1.701
Molar Refractivity: 71.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.57
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.07
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.11
Polar Surface Area: 99 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 66.5±7.0 dyne/cm
Molar Volume: 185.5±7.0 cm3

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