ChemSpider 2D Image | (-)-Jiadifenolide | C15H18O7

(-)-Jiadifenolide

  • Molecular FormulaC15H18O7
  • Average mass310.299 Da
  • Monoisotopic mass310.105255 Da
  • ChemSpider ID28287016
  • defined stereocentres - 7 of 7 defined stereocentres


More details:



Featured data source



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

(-)-Jiadifenolide
(1R,2R,6R,7R,9S,10R,11R)-6,9-Dihydroxy-2,11-dimethyl-4,8,14-trioxapentacyclo[7.4.2.17,10.01,10.02,6]hexadecan-5,15-dion [German] [ACD/IUPAC Name]
(1R,2R,6R,7R,9S,10R,11R)-6,9-Dihydroxy-2,11-dimethyl-4,8,14-trioxapentacyclo[7.4.2.17,10.01,10.02,6]hexadecane-5,15-dione [ACD/IUPAC Name]
(1R,2R,6R,7R,9S,10R,11R)-6,9-Dihydroxy-2,11-diméthyl-4,8,14-trioxapentacyclo[7.4.2.17,10.01,10.02,6]hexadécane-5,15-dione [French] [ACD/IUPAC Name]
6H,7H-9a,6-(Epoxymethano)-4,6a-methano-3H-cyclopenta[c]furo[3,4-e]oxepin-3,11-dione, hexahydro-3a,6-dihydroxy-7,9b-dimethyl-, (3aR,4R,6S,6aR,7R,9aR,9bR)- [ACD/Index Name]
jiadifenolide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 548.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.2±6.0 kJ/mol
Flash Point: 210.1±23.6 °C
Index of Refraction: 1.645
Molar Refractivity: 69.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.20
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.11
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.10
Polar Surface Area: 102 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 192.7±5.0 cm3

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