ChemSpider 2D Image | 4-Amino-1-[(4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2(1H)-pyrimidinone | C8H11N3O4

4-Amino-1-[(4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2(1H)-pyrimidinone

  • Molecular FormulaC8H11N3O4
  • Average mass213.191 Da
  • Monoisotopic mass213.074951 Da
  • ChemSpider ID23177750
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

2(1H)-Pyrimidinone, 4-amino-1-[(4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]- [ACD/Index Name]
4-Amino-1-[(4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[(4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[(4R)-2-(hydroxyméthyl)-1,3-dioxolan-4-yl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4-amino-1-[(4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2(1H)-one
4-Amino-1-(2-hydroxymethyl-[1,3]dioxolan-4-yl)-1H-pyrimidin-2-one
4-amino-1-[(4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1,2-dihydropyrimidin-2-one

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

Density: 1.7±0.1 g/cm3
Boiling Point: 422.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±6.0 kJ/mol
Flash Point: 209.3±31.5 °C
Index of Refraction: 1.694
Molar Refractivity: 47.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.78
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.68
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.94
Polar Surface Area: 97 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 74.0±7.0 dyne/cm
Molar Volume: 124.2±7.0 cm3

Click to predict properties on the Chemicalize site






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