ChemSpider 2D Image | (1xi)-1,4-Anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-deoxy-D-ribitol | C9H13N3O5

(1ξ)-1,4-Anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-deoxy-D-ribitol

  • Molecular FormulaC9H13N3O5
  • Average mass243.217 Da
  • Monoisotopic mass243.085526 Da
  • ChemSpider ID24675677
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

(1ξ)-1,4-Anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-deoxy-D-ribitol [ACD/IUPAC Name]
(1ξ)-1,4-Anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-desoxy-D-ribitol [German] [ACD/IUPAC Name]
(1ξ)-1,4-Anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-désoxy-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-C-[5-(aminocarbonyl)-4-hydroxy-1H-pyrazol-3-yl]-1,4-anhydro-5-deoxy-, (1ξ)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 506.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 260.3±30.1 °C
Index of Refraction: 1.685
Molar Refractivity: 55.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.39
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.53
ACD/LogD (pH 7.4): -1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.05
Polar Surface Area: 142 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 92.1±3.0 dyne/cm
Molar Volume: 146.6±3.0 cm3

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