ChemSpider 2D Image | (5R,8S,9R,10R,11S,12S,16S)-9,12-Dihydroxy-4,11,15-trimethyl-3,7-dioxapentacyclo[8.8.0.0~1,5~.0~4,8~.0~11,16~]octadec-14-ene-6,13,18-trione | C19H22O7

(5R,8S,9R,10R,11S,12S,16S)-9,12-Dihydroxy-4,11,15-trimethyl-3,7-dioxapentacyclo[8.8.0.01,5.04,8.011,16]octadec-14-ene-6,13,18-trione

  • Molecular FormulaC19H22O7
  • Average mass362.374 Da
  • Monoisotopic mass362.136566 Da
  • ChemSpider ID30652370

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(5R,8S,9R,10R,11S,12S,16S)-9,12-Dihydroxy-4,11,15-trimethyl-3,7-dioxapentacyclo[8.8.0.01,5.04,8.011,16]octadec-14-en-6,13,18-trion [German] [ACD/IUPAC Name]
(5R,8S,9R,10R,11S,12S,16S)-9,12-Dihydroxy-4,11,15-trimethyl-3,7-dioxapentacyclo[8.8.0.01,5.04,8.011,16]octadec-14-ene-6,13,18-trione [ACD/IUPAC Name]
(5R,8S,9R,10R,11S,12S,16S)-9,12-Dihydroxy-4,11,15-triméthyl-3,7-dioxapentacyclo[8.8.0.01,5.04,8.011,16]octadéc-14-ène-6,13,18-trione [French] [ACD/IUPAC Name]
2H-5a,2,5-(Methanooxymetheno)naphth[1,2-d]oxepin-4,6,10(5H)-trione, 1,7,7a,11,11a,11b-hexahydro-1,11-dihydroxy-8,11a,14-trimethyl-, (1R,2S,5R,7aS,11S,11aS,11bR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 648.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±6.0 kJ/mol
Flash Point: 237.9±25.0 °C
Index of Refraction: 1.628
Molar Refractivity: 86.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.48
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.14
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.14
Polar Surface Area: 110 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 66.6±5.0 dyne/cm
Molar Volume: 243.1±5.0 cm3

Click to predict properties on the Chemicalize site


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