ChemSpider 2D Image | (2R,5S,9S,13R)-5,9,13-Trihydroxy-2,6,10-trimethyl-8-oxatetracyclo[7.3.1.0~1,5~.0~6,10~]tridecan-11-one | C15H22O5

(2R,5S,9S,13R)-5,9,13-Trihydroxy-2,6,10-trimethyl-8-oxatetracyclo[7.3.1.01,5.06,10]tridecan-11-one

  • Molecular FormulaC15H22O5
  • Average mass282.332 Da
  • Monoisotopic mass282.146729 Da
  • ChemSpider ID24685764

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

(2R,5S,9S,13R)-5,9,13-Trihydroxy-2,6,10-trimethyl-8-oxatetracyclo[7.3.1.01,5.06,10]tridecan-11-on [German] [ACD/IUPAC Name]
(2R,5S,9S,13R)-5,9,13-Trihydroxy-2,6,10-trimethyl-8-oxatetracyclo[7.3.1.01,5.06,10]tridecan-11-one [ACD/IUPAC Name]
(2R,5S,9S,13R)-5,9,13-Trihydroxy-2,6,10-triméthyl-8-oxatétracyclo[7.3.1.01,5.06,10]tridécan-11-one [French] [ACD/IUPAC Name]
3,5a-Methano-5aH-indeno[4,5-c]furan-4(5H)-one, octahydro-3,8a,9-trihydroxy-3a,6,8b-trimethyl-, (3S,6R,8aS,9R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 444.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±6.0 kJ/mol
Flash Point: 165.7±22.2 °C
Index of Refraction: 1.616
Molar Refractivity: 69.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.36
ACD/KOC (pH 5.5): 64.35
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.36
ACD/KOC (pH 7.4): 64.35
Polar Surface Area: 87 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 199.7±5.0 cm3

Click to predict properties on the Chemicalize site


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