ChemSpider 2D Image | (4R,5R)-3-(Hydroxymethyl)hexahydro-4,5-pyridazinediol | C5H12N2O3

(4R,5R)-3-(Hydroxymethyl)hexahydro-4,5-pyridazinediol

  • Molecular FormulaC5H12N2O3
  • Average mass148.160 Da
  • Monoisotopic mass148.084793 Da
  • ChemSpider ID74173976

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4R,5R)-3-(Hydroxymethyl)hexahydro-4,5-pyridazindiol [German] [ACD/IUPAC Name]
(4R,5R)-3-(Hydroxymethyl)hexahydro-4,5-pyridazinediol [ACD/IUPAC Name]
(4R,5R)-3-(Hydroxyméthyl)hexahydro-4,5-pyridazinediol [French] [ACD/IUPAC Name]
4,5-Pyridazinediol, hexahydro-3-(hydroxymethyl)-, (4R,5R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 307.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 63.5±6.0 kJ/mol
Flash Point: 168.9±18.5 °C
Index of Refraction: 1.535
Molar Refractivity: 34.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -2.24
ACD/LogD (pH 5.5): -4.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 111.1±3.0 cm3

Click to predict properties on the Chemicalize site


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