ChemSpider 2D Image | (2R,3R,4S,5R,5aR,8aR,9S,9aR)-2,4,9-Trihydroxy-3,9a-dimethyl-6-methylene-5-(2-pentanyloxy)decahydro-7H-oxireno[7,8]cyclonona[1,2-b]furan-7-one | C19H30O7

(2R,3R,4S,5R,5aR,8aR,9S,9aR)-2,4,9-Trihydroxy-3,9a-dimethyl-6-methylene-5-(2-pentanyloxy)decahydro-7H-oxireno[7,8]cyclonona[1,2-b]furan-7-one

  • Molecular FormulaC19H30O7
  • Average mass370.437 Da
  • Monoisotopic mass370.199158 Da
  • ChemSpider ID58843156

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(2R,3R,4S,5R,5aR,8aR,9S,9aR)-2,4,9-Trihydroxy-3,9a-dimethyl-6-methylen-5-(2-pentanyloxy)decahydro-7H-oxireno[7,8]cyclonona[1,2-b]furan-7-on [German] [ACD/IUPAC Name]
(2R,3R,4S,5R,5aR,8aR,9S,9aR)-2,4,9-Trihydroxy-3,9a-dimethyl-6-methylene-5-(2-pentanyloxy)decahydro-7H-oxireno[7,8]cyclonona[1,2-b]furan-7-one [ACD/IUPAC Name]
(2R,3R,4S,5R,5aR,8aR,9S,9aR)-2,4,9-Trihydroxy-3,9a-diméthyl-6-méthylène-5-(2-pentanyloxy)décahydro-7H-oxiréno[7,8]cyclonona[1,2-b]furan-7-one [French] [ACD/IUPAC Name]
7H-Oxireno[7,8]cyclonona[1,2-b]furan-7-one, decahydro-2,4,9-trihydroxy-3,9a-dimethyl-5-(1-methylbutoxy)-6-methylene-, (2R,3R,4S,5R,5aR,8aR,9S,9aR)- [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: 576.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.1±6.0 kJ/mol
Flash Point: 202.8±23.6 °C
Index of Refraction: 1.548
Molar Refractivity: 93.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.67
ACD/KOC (pH 5.5): 104.87
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.67
ACD/KOC (pH 7.4): 104.87
Polar Surface Area: 109 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 293.3±5.0 cm3

Click to predict properties on the Chemicalize site


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