ChemSpider 2D Image | 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE | C9H14N4O8

5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE

  • Molecular FormulaC9H14N4O8
  • Average mass306.229 Da
  • Monoisotopic mass306.081177 Da
  • ChemSpider ID26330222

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-Deoxy-1-[(5-nitro-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino]-D-xylitol [ACD/IUPAC Name]
1-Desoxy-1-[(5-nitro-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino]-D-xylitol [German] [ACD/IUPAC Name]
1-Désoxy-1-[(5-nitro-2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinyl)amino]-D-xylitol [French] [ACD/IUPAC Name]
5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE
D-Xylitol, 1-deoxy-1-[(1,2,3,6-tetrahydro-5-nitro-2,6-dioxo-4-pyrimidinyl)amino]- [ACD/Index Name]
5-nitro-6-{[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione
5-nitro-6-{[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]amino}-1,3-dihydropyrimidine-2,4-dione

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 64.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -3.65
ACD/LogD (pH 5.5): -3.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 197 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 107.4±5.0 dyne/cm
Molar Volume: 173.0±5.0 cm3

Click to predict properties on the Chemicalize site


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