ChemSpider 2D Image | 5-Deoxy-5-[(2,6-dihydroxy-5-nitro-4-pyrimidinyl)amino]-D-arabinitol | C9H14N4O8

5-Deoxy-5-[(2,6-dihydroxy-5-nitro-4-pyrimidinyl)amino]-D-arabinitol

  • Molecular FormulaC9H14N4O8
  • Average mass306.229 Da
  • Monoisotopic mass306.081177 Da
  • ChemSpider ID62490208

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

5-Deoxy-5-[(2,6-dihydroxy-5-nitro-4-pyrimidinyl)amino]-D-arabinitol [ACD/IUPAC Name]
5-Deoxy-5-[(5-nitro-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino]-D-arabinitol [ACD/IUPAC Name]
5-Desoxy-5-[(2,6-dihydroxy-5-nitro-4-pyrimidinyl)amino]-D-arabinitol [German] [ACD/IUPAC Name]
5-Désoxy-5-[(2,6-dihydroxy-5-nitro-4-pyrimidinyl)amino]-D-arabinitol [French] [ACD/IUPAC Name]
5-Desoxy-5-[(5-nitro-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino]-D-arabinitol [German] [ACD/IUPAC Name]
5-Désoxy-5-[(5-nitro-2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinyl)amino]-D-arabinitol [French] [ACD/IUPAC Name]
D-Arabinitol, 5-deoxy-5-[(1,2,3,6-tetrahydro-5-nitro-2,6-dioxo-4-pyrimidinyl)amino]- [ACD/Index Name]
D-Arabinitol, 5-deoxy-5-[(2,6-dihydroxy-5-nitro-4-pyrimidinyl)amino]- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 882.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.4±3.0 kJ/mol
Flash Point: 487.4±37.1 °C
Index of Refraction: 1.769
Molar Refractivity: 66.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.73
ACD/LogD (pH 5.5): -5.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 143.7±3.0 dyne/cm
Molar Volume: 161.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement