ChemSpider 2D Image | Microclavatin | C20H28O3

Microclavatin

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID65321701

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2E,5Z,7R,9R,12S,15S)-3,7,12,16,16-Pentamethyl-8-oxatricyclo[13.1.0.07,9]hexadeca-2,5-dien-4,10-dion [German] [ACD/IUPAC Name]
(1R,2E,5Z,7R,9R,12S,15S)-3,7,12,16,16-Pentamethyl-8-oxatricyclo[13.1.0.07,9]hexadeca-2,5-diene-4,10-dione [ACD/IUPAC Name]
(1R,2E,5Z,7R,9R,12S,15S)-3,7,12,16,16-Pentaméthyl-8-oxatricyclo[13.1.0.07,9]hexadéca-2,5-diène-4,10-dione [French] [ACD/IUPAC Name]
8-Oxatricyclo[13.1.0.07,9]hexadeca-2,5-diene-4,10-dione, 3,7,12,16,16-pentamethyl-, (1R,2E,5Z,7R,9R,12S,15S)- [ACD/Index Name]
Microclavatin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 440.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 191.6±28.8 °C
Index of Refraction: 1.495
Molar Refractivity: 89.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1345.79
ACD/KOC (pH 5.5): 6043.95
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1345.79
ACD/KOC (pH 7.4): 6043.95
Polar Surface Area: 47 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 31.6±3.0 dyne/cm
Molar Volume: 307.6±3.0 cm3

Click to predict properties on the Chemicalize site


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