ChemSpider 2D Image | 1-[(1R,3S,4S)-3-Hydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodo-2,4(1H,3H)-pyrimidinedione | C10H13IN2O4

1-[(1R,3S,4S)-3-Hydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodo-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC10H13IN2O4
  • Average mass352.126 Da
  • Monoisotopic mass351.992004 Da
  • ChemSpider ID62406316

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-[(1R,3S,4S)-3-Hydroxy-4-(hydroxymethyl)cyclopentyl]-5-iod-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-[(1R,3S,4S)-3-Hydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodo-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[(1R,3S,4S)-3-Hydroxy-4-(hydroxyméthyl)cyclopentyl]-5-iodo-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[(1R,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodo- [ACD/Index Name]

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: 67.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.33
ACD/LogD (pH 5.5): -0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.00
ACD/LogD (pH 7.4): -1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.05
Polar Surface Area: 90 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 80.4±5.0 dyne/cm
Molar Volume: 175.0±5.0 cm3

Click to predict properties on the Chemicalize site


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