ChemSpider 2D Image | (4S,5S)-5-(Hydroxymethyl)(4-~2~H_1_)dihydro-2(3H)-furanone | C5H7DO3

(4S,5S)-5-(Hydroxymethyl)(4-2H1)dihydro-2(3H)-furanone

  • Molecular FormulaC5H7DO3
  • Average mass117.121 Da
  • Monoisotopic mass117.053619 Da
  • ChemSpider ID31076787

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4S,5S)-5-(Hydroxymethyl)(4-2H1)dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(4S,5S)-5-(Hydroxymethyl)(4-2H1)dihydro-2(3H)-furanone [ACD/IUPAC Name]
(4S,5S)-5-(Hydroxyméthyl)(4-2H1)dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 308.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 63.7±6.0 kJ/mol
Flash Point: 146.0±13.2 °C
Index of Refraction: 1.469
Molar Refractivity: 26.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.80
ACD/LogD (pH 5.5): -1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.06
ACD/LogD (pH 7.4): -1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.06
Polar Surface Area: 47 Å2
Polarizability: 10.5±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 94.8±3.0 cm3

Click to predict properties on the Chemicalize site


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