ChemSpider 2D Image | (5S,7S,7aR,8S,9aS)-5,7,7a-Trihydroxy-9a-methoxy-3,5,8-trimethyl-6,7,7a,8,9,9a-hexahydroazuleno[6,5-b]furan-2(5H)-one | C16H22O6

(5S,7S,7aR,8S,9aS)-5,7,7a-Trihydroxy-9a-methoxy-3,5,8-trimethyl-6,7,7a,8,9,9a-hexahydroazuleno[6,5-b]furan-2(5H)-one

  • Molecular FormulaC16H22O6
  • Average mass310.342 Da
  • Monoisotopic mass310.141632 Da
  • ChemSpider ID35517004

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5S,7S,7aR,8S,9aS)-5,7,7a-Trihydroxy-9a-methoxy-3,5,8-trimethyl-6,7,7a,8,9,9a-hexahydroazuleno[6,5-b]furan-2(5H)-on [German] [ACD/IUPAC Name]
(5S,7S,7aR,8S,9aS)-5,7,7a-Trihydroxy-9a-methoxy-3,5,8-trimethyl-6,7,7a,8,9,9a-hexahydroazuleno[6,5-b]furan-2(5H)-one [ACD/IUPAC Name]
(5S,7S,7aR,8S,9aS)-5,7,7a-Trihydroxy-9a-méthoxy-3,5,8-triméthyl-6,7,7a,8,9,9a-hexahydroazuléno[6,5-b]furan-2(5H)-one [French] [ACD/IUPAC Name]
Azuleno[6,5-b]furan-2(5H)-one, 6,7,7a,8,9,9a-hexahydro-5,7,7a-trihydroxy-9a-methoxy-3,5,8-trimethyl-, (5S,7S,7aR,8S,9aS)- [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: 549.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.3±6.0 kJ/mol
Flash Point: 204.1±23.6 °C
Index of Refraction: 1.599
Molar Refractivity: 77.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.97
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.07
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.07
Polar Surface Area: 96 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 226.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement