ChemSpider 2D Image | massarilactone H | C11H12O5

massarilactone H

  • Molecular FormulaC11H12O5
  • Average mass224.210 Da
  • Monoisotopic mass224.068466 Da
  • ChemSpider ID28185021

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3R,4S)-3,4-Dihydroxy-7-methylen-2-[(1E)-1-propen-1-yl]-2,3,4,7-tetrahydro-5H-furo[3,4-b]pyran-5-on [German] [ACD/IUPAC Name]
(2S,3R,4S)-3,4-Dihydroxy-7-methylene-2-[(1E)-1-propen-1-yl]-2,3,4,7-tetrahydro-5H-furo[3,4-b]pyran-5-one [ACD/IUPAC Name]
(2S,3R,4S)-3,4-Dihydroxy-7-méthylène-2-[(1E)-1-propén-1-yl]-2,3,4,7-tétrahydro-5H-furo[3,4-b]pyran-5-one [French] [ACD/IUPAC Name]
5H-Furo[3,4-b]pyran-5-one, 2,3,4,7-tetrahydro-3,4-dihydroxy-7-methylene-2-[(1E)-1-propen-1-yl]-, (2S,3R,4S)- [ACD/Index Name]
massarilactone H

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

Density: 1.4±0.1 g/cm3
Boiling Point: 368.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.2±6.0 kJ/mol
Flash Point: 144.9±21.4 °C
Index of Refraction: 1.591
Molar Refractivity: 54.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.05
ACD/KOC (pH 5.5): 36.17
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.05
ACD/KOC (pH 7.4): 36.16
Polar Surface Area: 76 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 160.9±5.0 cm3

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