ChemSpider 2D Image | (1S)-1,4-Anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-O-phosphono-D-ribitol | C9H14N3O9P

(1S)-1,4-Anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-O-phosphono-D-ribitol

  • Molecular FormulaC9H14N3O9P
  • Average mass339.196 Da
  • Monoisotopic mass339.046753 Da
  • ChemSpider ID25036140

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S)-1,4-Anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-O-phosphono-D-ribitol [German] [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-O-phosphono-D-ribitol [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-O-phosphono-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-C-[5-(aminocarbonyl)-4-hydroxy-1H-pyrazol-3-yl]-1,4-anhydro-, 5-(dihydrogen phosphate), (1S)- [ACD/Index Name]
PFU

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

Density: 2.0±0.1 g/cm3
Boiling Point: 713.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 385.3±35.7 °C
Index of Refraction: 1.706
Molar Refractivity: 67.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -5.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 129.6±3.0 dyne/cm
Molar Volume: 173.2±3.0 cm3

Click to predict properties on the Chemicalize site


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