ChemSpider 2D Image | 4-Amino-1-[(2R,5R)-5-(hydroxymethyl)-2,5-dihydro-2-furanyl]-2(1H)-pyrimidinone | C9H11N3O3

4-Amino-1-[(2R,5R)-5-(hydroxymethyl)-2,5-dihydro-2-furanyl]-2(1H)-pyrimidinone

  • Molecular FormulaC9H11N3O3
  • Average mass209.202 Da
  • Monoisotopic mass209.080048 Da
  • ChemSpider ID110558262

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[(2R,5R)-2,5-dihydro-5-(hydroxymethyl)-2-furanyl]- [ACD/Index Name]
4-Amino-1-[(2R,5R)-5-(hydroxymethyl)-2,5-dihydro-2-furanyl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[(2R,5R)-5-(hydroxymethyl)-2,5-dihydro-2-furanyl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[(2R,5R)-5-(hydroxyméthyl)-2,5-dihydro-2-furanyl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 425.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±6.0 kJ/mol
Flash Point: 211.0±31.5 °C
Index of Refraction: 1.686
Molar Refractivity: 50.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.40
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.71
ACD/LogD (pH 7.4): -1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.95
Polar Surface Area: 88 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 67.7±7.0 dyne/cm
Molar Volume: 133.8±7.0 cm3

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