ChemSpider 2D Image | (5S)-3-[(3S)-3-Hydroxy-2-oxobutyl]-5-methyl-2(5H)-furanone | C9H12O4

(5S)-3-[(3S)-3-Hydroxy-2-oxobutyl]-5-methyl-2(5H)-furanone

  • Molecular FormulaC9H12O4
  • Average mass184.189 Da
  • Monoisotopic mass184.073563 Da
  • ChemSpider ID40256808

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S)-3-[(3S)-3-Hydroxy-2-oxobutyl]-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(3S)-3-Hydroxy-2-oxobutyl]-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-[(3S)-3-Hydroxy-2-oxobutyl]-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(3S)-3-hydroxy-2-oxobutyl]-5-methyl-, (5S)- [ACD/Index Name]
Asperochrin B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 366.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.9±6.0 kJ/mol
Flash Point: 149.4±17.2 °C
Index of Refraction: 1.494
Molar Refractivity: 44.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.26
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.20
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.20
Polar Surface Area: 64 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 153.1±3.0 cm3

Click to predict properties on the Chemicalize site


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