ChemSpider 2D Image | (4S,5S,6E,8S,10R)-4,5,8-Trihydroxy-10-methyl(2,4,6,8,10-~13~C_5_)-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one | C513C5H16O5

(4S,5S,6E,8S,10R)-4,5,8-Trihydroxy-10-methyl(2,4,6,8,10-13C5)-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one

  • Molecular FormulaC513C5H16O5
  • Average mass221.194 Da
  • Monoisotopic mass221.116547 Da
  • ChemSpider ID8234899

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4S,5S,6E,8S,10R)-4,5,8-Trihydroxy-10-methyl(2,4,6,8,10-13C5)-3,4,5,8,9,10-hexahydro-2H-oxecin-2-on [German] [ACD/IUPAC Name]
(4S,5S,6E,8S,10R)-4,5,8-Trihydroxy-10-methyl(2,4,6,8,10-13C5)-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one [ACD/IUPAC Name]
(4S,5S,6E,8S,10R)-4,5,8-Trihydroxy-10-méthyl(2,4,6,8,10-13C5)-3,4,5,8,9,10-hexahydro-2H-oxécin-2-one [French] [ACD/IUPAC Name]
2H-Oxecin-2-one-2,4,6,8,10-13C5, 3,4,5,8,9,10-hexahydro-4,5,8-trihydroxy-10-methyl-, (4S,5S,6E,8S,10R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.531
Molar Refractivity: 52.3±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 169.2±3.0 cm3

Click to predict properties on the Chemicalize site


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