ChemSpider 2D Image | cespihypotin T | C19H28O4

cespihypotin T

  • Molecular FormulaC19H28O4
  • Average mass320.423 Da
  • Monoisotopic mass320.198761 Da
  • ChemSpider ID23333280

  • 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

(1R,7E,10S,11S)-10,11-Dihydroxy-8,15,15-trimethyl-4-methylenbicyclo[9.3.1]pentadec-7-en-6,12-dion [German] [ACD/IUPAC Name]
(1R,7E,10S,11S)-10,11-Dihydroxy-8,15,15-trimethyl-4-methylenebicyclo[9.3.1]pentadec-7-ene-6,12-dione [ACD/IUPAC Name]
(1R,7E,10S,11S)-10,11-Dihydroxy-8,15,15-triméthyl-4-méthylènebicyclo[9.3.1]pentadéc-7-ène-6,12-dione [French] [ACD/IUPAC Name]
Bicyclo[9.3.1]pentadec-7-ene-6,12-dione, 10,11-dihydroxy-8,15,15-trimethyl-4-methylene-, (1R,7E,10S,11S)- [ACD/Index Name]
cespihypotin T
(1R,7E,10S,11S)-10,11-dihydroxy-8,15,15-trimethyl-4-methylidenebicyclo[9.3.1]pentadec-7-ene-6,12-dione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL510203/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 474.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.0±6.0 kJ/mol
Flash Point: 254.7±25.2 °C
Index of Refraction: 1.538
Molar Refractivity: 88.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.41
ACD/KOC (pH 5.5): 482.76
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.41
ACD/KOC (pH 7.4): 482.75
Polar Surface Area: 75 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 282.8±5.0 cm3

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