ChemSpider 2D Image | (2S,3S)-3-Methyl-1,1,2,3,4-butanepentol | C5H12O5

(2S,3S)-3-Methyl-1,1,2,3,4-butanepentol

  • Molecular FormulaC5H12O5
  • Average mass152.146 Da
  • Monoisotopic mass152.068466 Da
  • ChemSpider ID61439139

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-3-Methyl-1,1,2,3,4-butanepentol [ACD/IUPAC Name]
(2S,3S)-3-Méthyl-1,1,2,3,4-butanepentol [French] [ACD/IUPAC Name]
(2S,3S)-3-Methyl-1,1,2,3,4-butanpentol [German] [ACD/IUPAC Name]
1,1,2,3,4-Butanepentol, 3-methyl-, (2S,3S)- [ACD/Index Name]
134864-54-3 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 453.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±6.0 kJ/mol
Flash Point: 239.9±21.9 °C
Index of Refraction: 1.573
Molar Refractivity: 32.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -3.15
ACD/LogD (pH 5.5): -2.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 88.2±3.0 dyne/cm
Molar Volume: 99.4±3.0 cm3

Click to predict properties on the Chemicalize site


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