ChemSpider 2D Image | (1R,3S,6Z,9R,13S,17R)-17-Hydroxy-9-isopropenyl-1-methyl-4,16-dioxatricyclo[11.2.1.1~3,6~]heptadec-6-ene-5,11,14-trione | C19H24O6

(1R,3S,6Z,9R,13S,17R)-17-Hydroxy-9-isopropenyl-1-methyl-4,16-dioxatricyclo[11.2.1.13,6]heptadec-6-ene-5,11,14-trione

  • Molecular FormulaC19H24O6
  • Average mass348.390 Da
  • Monoisotopic mass348.157288 Da
  • ChemSpider ID30797171

  • 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,3S,6Z,9R,13S,17R)-17-Hydroxy-9-isopropenyl-1-methyl-4,16-dioxatricyclo[11.2.1.13,6]heptadec-6-en-5,11,14-trion [German] [ACD/IUPAC Name]
(1R,3S,6Z,9R,13S,17R)-17-Hydroxy-9-isopropenyl-1-methyl-4,16-dioxatricyclo[11.2.1.13,6]heptadec-6-ene-5,11,14-trione [ACD/IUPAC Name]
(1R,3S,6Z,9R,13S,17R)-17-Hydroxy-9-isopropényl-1-méthyl-4,16-dioxatricyclo[11.2.1.13,6]heptadéc-6-ène-5,11,14-trione [French] [ACD/IUPAC Name]
4,16-Dioxatricyclo[11.2.1.13,6]heptadec-6-ene-5,11,14-trione, 17-hydroxy-1-methyl-9-(1-methylethenyl)-, (1R,3S,6Z,9R,13S,17R)- [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: 602.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.9±6.0 kJ/mol
Flash Point: 217.3±25.0 °C
Index of Refraction: 1.552
Molar Refractivity: 88.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 2.55
ACD/KOC (pH 5.5): 68.04
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.55
ACD/KOC (pH 7.4): 68.04
Polar Surface Area: 90 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 276.5±5.0 cm3

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