ChemSpider 2D Image | (1S)-1-(2-Amino-4-oxo-1,4-dihydro-5-pyrimidinyl)-1,4-anhydro-D-ribitol | C9H13N3O5

(1S)-1-(2-Amino-4-oxo-1,4-dihydro-5-pyrimidinyl)-1,4-anhydro-D-ribitol

  • Molecular FormulaC9H13N3O5
  • Average mass243.217 Da
  • Monoisotopic mass243.085526 Da
  • ChemSpider ID22937996

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1S)-1-(2-Amino-4-oxo-1,4-dihydro-5-pyrimidinyl)-1,4-anhydro-D-ribitol [ACD/IUPAC Name]
(1S)-1-(2-Amino-4-oxo-1,4-dihydro-5-pyrimidinyl)-1,4-anhydro-D-ribitol [German] [ACD/IUPAC Name]
(1S)-1-(2-Amino-4-oxo-1,4-dihydro-5-pyrimidinyl)-1,4-anhydro-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-C-(2-amino-1,6-dihydro-6-oxo-5-pyrimidinyl)-1,4-anhydro-, (1S)- [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: 1.788
Molar Refractivity: 51.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.65
ACD/LogD (pH 5.5): -1.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.06
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.01
Polar Surface Area: 137 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 93.8±7.0 dyne/cm
Molar Volume: 122.3±7.0 cm3

Click to predict properties on the Chemicalize site


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