ChemSpider 2D Image | (5E,8S,9S,10R)-8,9-Dihydroxy-10-vinyl-3,4,7,8,9,10-hexahydro-2H-oxecin-2-one | C11H16O4

(5E,8S,9S,10R)-8,9-Dihydroxy-10-vinyl-3,4,7,8,9,10-hexahydro-2H-oxecin-2-one

  • Molecular FormulaC11H16O4
  • Average mass212.242 Da
  • Monoisotopic mass212.104858 Da
  • ChemSpider ID30653410

  • 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

(5E,8S,9S,10R)-8,9-Dihydroxy-10-vinyl-3,4,7,8,9,10-hexahydro-2H-oxecin-2-on [German] [ACD/IUPAC Name]
(5E,8S,9S,10R)-8,9-Dihydroxy-10-vinyl-3,4,7,8,9,10-hexahydro-2H-oxecin-2-one [ACD/IUPAC Name]
(5E,8S,9S,10R)-8,9-Dihydroxy-10-vinyl-3,4,7,8,9,10-hexahydro-2H-oxécin-2-one [French] [ACD/IUPAC Name]
2H-Oxecin-2-one, 10-ethenyl-3,4,7,8,9,10-hexahydro-8,9-dihydroxy-, (5E,8S,9S,10R)- [ACD/Index 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: 353.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.2±6.0 kJ/mol
Flash Point: 135.0±21.4 °C
Index of Refraction: 1.570
Molar Refractivity: 56.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.10
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 43.92
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 43.92
Polar Surface Area: 67 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 173.1±3.0 cm3

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