ChemSpider 2D Image | Cinncassiol C3 | C20H30O7

Cinncassiol C3

  • Molecular FormulaC20H30O7
  • Average mass382.448 Da
  • Monoisotopic mass382.199158 Da
  • ChemSpider ID30791611

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(2S,5S,6R,7R,9S,10S,11S)-2,6,9,11-Tetrahydroxy-11-isopropyl-1,5,10-trimethyl-8-oxatetracyclo[7.4.1.17,10.02,7]pentadecan-13,15-dion [German] [ACD/IUPAC Name]
(2S,5S,6R,7R,9S,10S,11S)-2,6,9,11-Tetrahydroxy-11-isopropyl-1,5,10-trimethyl-8-oxatetracyclo[7.4.1.17,10.02,7]pentadecane-13,15-dione [ACD/IUPAC Name]
(2S,5S,6R,7R,9S,10S,11S)-2,6,9,11-Tétrahydroxy-11-isopropyl-1,5,10-triméthyl-8-oxatétracyclo[7.4.1.17,10.02,7]pentadécane-13,15-dione [French] [ACD/IUPAC Name]
6H-2,7:3,11a-Dimethano-1-benzoxonin-6,12-dione, decahydro-2,4,7a,11-tetrahydroxy-3,7,10-trimethyl-4-(1-methylethyl)-, (2S,3S,4S,7aS,10S,11R,11aR)- [ACD/Index Name]
Cinncassiol C3

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

Density: 1.4±0.1 g/cm3
Boiling Point: 595.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.8±6.0 kJ/mol
Flash Point: 209.5±23.6 °C
Index of Refraction: 1.601
Molar Refractivity: 94.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 15.01
ACD/KOC (pH 5.5): 241.88
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 15.00
ACD/KOC (pH 7.4): 241.77
Polar Surface Area: 124 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 65.0±5.0 dyne/cm
Molar Volume: 276.0±5.0 cm3

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