ChemSpider 2D Image | (1Z,6R,9R,10E,12S)-5,6,9-Trihydroxy-12-isopropyl-5,9-dimethyl-13-oxabicyclo[10.2.2]hexadeca-1,10-dien-14-one | C20H32O5

(1Z,6R,9R,10E,12S)-5,6,9-Trihydroxy-12-isopropyl-5,9-dimethyl-13-oxabicyclo[10.2.2]hexadeca-1,10-dien-14-one

  • Molecular FormulaC20H32O5
  • Average mass352.465 Da
  • Monoisotopic mass352.224976 Da
  • ChemSpider ID35517128

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1Z,6R,9R,10E,12S)-5,6,9-Trihydroxy-12-isopropyl-5,9-dimethyl-13-oxabicyclo[10.2.2]hexadeca-1,10-dien-14-on [German] [ACD/IUPAC Name]
(1Z,6R,9R,10E,12S)-5,6,9-Trihydroxy-12-isopropyl-5,9-dimethyl-13-oxabicyclo[10.2.2]hexadeca-1,10-dien-14-one [ACD/IUPAC Name]
(1Z,6R,9R,10E,12S)-5,6,9-Trihydroxy-12-isopropyl-5,9-diméthyl-13-oxabicyclo[10.2.2]hexadéca-1,10-dién-14-one [French] [ACD/IUPAC Name]
13-Oxabicyclo[10.2.2]hexadeca-1,10-dien-14-one, 5,6,9-trihydroxy-5,9-dimethyl-12-(1-methylethyl)-, (1Z,6R,9R,10E,12S)- [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: 529.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.5±6.0 kJ/mol
Flash Point: 181.7±23.6 °C
Index of Refraction: 1.548
Molar Refractivity: 96.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 45.69
ACD/KOC (pH 5.5): 536.66
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.69
ACD/KOC (pH 7.4): 536.66
Polar Surface Area: 87 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 304.1±5.0 cm3

Click to predict properties on the Chemicalize site


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