ChemSpider 2D Image | 1-Deoxy-1-{[(5s)-2,6-Dioxo-5-(Propanoylamino)-1,2,5,6-Tetrahydropyrimidin-4-Yl]amino}-D-Ribitol | C12H20N4O7

1-Deoxy-1-{[(5s)-2,6-Dioxo-5-(Propanoylamino)-1,2,5,6-Tetrahydropyrimidin-4-Yl]amino}-D-Ribitol

  • Molecular FormulaC12H20N4O7
  • Average mass332.310 Da
  • Monoisotopic mass332.133209 Da
  • ChemSpider ID25058407

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-Deoxy-1-{[(5s)-2,6-Dioxo-5-(Propanoylamino)-1,2,5,6-Tetrahydropyrimidin-4-Yl]amino}-D-Ribitol
1-Deoxy-1-{[(5S)-2,6-dioxo-5-(propionylamino)-1,2,5,6-tetrahydro-4-pyrimidinyl]amino}-D-ribitol [ACD/IUPAC Name]
1-Desoxy-1-{[(5S)-2,6-dioxo-5-(propionylamino)-1,2,5,6-tetrahydro-4-pyrimidinyl]amino}-D-ribitol [German] [ACD/IUPAC Name]
1-Désoxy-1-{[(5S)-2,6-dioxo-5-(propionylamino)-1,2,5,6-tétrahydro-4-pyrimidinyl]amino}-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-deoxy-1-[[(5S)-1,2,5,6-tetrahydro-2,6-dioxo-5-[(1-oxopropyl)amino]-4-pyrimidinyl]amino]- [ACD/Index Name]
Y19

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 73.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -4.52
ACD/LogD (pH 5.5): -3.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 181 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 73.2±7.0 dyne/cm
Molar Volume: 196.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement