ChemSpider 2D Image | 4-Amino-1-[(1R,4S,5R)-4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl]-2(1H)-pyrimidinone | C10H13N3O4

4-Amino-1-[(1R,4S,5R)-4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl]-2(1H)-pyrimidinone

  • Molecular FormulaC10H13N3O4
  • Average mass239.228 Da
  • Monoisotopic mass239.090607 Da
  • ChemSpider ID58842642

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[(1R,4S,5R)-4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl]- [ACD/Index Name]
4-Amino-1-[(1R,4S,5R)-4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[(1R,4S,5R)-4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[(1R,4S,5R)-4,5-dihydroxy-3-(hydroxyméthyl)-2-cyclopentén-1-yl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 508.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.7±6.0 kJ/mol
Flash Point: 261.3±32.9 °C
Index of Refraction: 1.743
Molar Refractivity: 55.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -2.02
ACD/LogD (pH 5.5): -2.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.52
ACD/LogD (pH 7.4): -2.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.60
Polar Surface Area: 119 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 81.4±7.0 dyne/cm
Molar Volume: 138.0±7.0 cm3

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