ChemSpider 2D Image | 1-Deoxy-1-{[2,6-dihydroxy-5-(hydroxyamino)-4-pyrimidinyl]amino}-D-ribitol | C9H16N4O7

1-Deoxy-1-{[2,6-dihydroxy-5-(hydroxyamino)-4-pyrimidinyl]amino}-D-ribitol

  • Molecular FormulaC9H16N4O7
  • Average mass292.246 Da
  • Monoisotopic mass292.101898 Da
  • ChemSpider ID61714917

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-Deoxy-1-{[2,6-dihydroxy-5-(hydroxyamino)-4-pyrimidinyl]amino}-D-ribitol [ACD/IUPAC Name]
1-Deoxy-1-{[5-(hydroxyamino)-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl]amino}-D-ribitol [ACD/IUPAC Name]
1-Desoxy-1-{[2,6-dihydroxy-5-(hydroxyamino)-4-pyrimidinyl]amino}-D-ribitol [German] [ACD/IUPAC Name]
1-Désoxy-1-{[2,6-dihydroxy-5-(hydroxyamino)-4-pyrimidinyl]amino}-D-ribitol [French] [ACD/IUPAC Name]
1-Desoxy-1-{[5-(hydroxyamino)-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl]amino}-D-ribitol [German] [ACD/IUPAC Name]
1-Désoxy-1-{[5-(hydroxyamino)-2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinyl]amino}-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-deoxy-1-[[1,2,3,6-tetrahydro-5-(hydroxyamino)-2,6-dioxo-4-pyrimidinyl]amino]- [ACD/Index Name]
D-Ribitol, 1-deoxy-1-[[2,6-dihydroxy-5-(hydroxyamino)-4-pyrimidinyl]amino]- [ACD/Index Name]
5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE
LMZ

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

Density: 2.0±0.1 g/cm3
Boiling Point: 915.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.5±3.0 kJ/mol
Flash Point: 507.5±37.1 °C
Index of Refraction: 1.849
Molar Refractivity: 66.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -4.07
ACD/LogD (pH 5.5): -6.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 166.9±3.0 dyne/cm
Molar Volume: 149.8±3.0 cm3

Click to predict properties on the Chemicalize site


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