ChemSpider 2D Image | 4beta,10alpha-dihydroxy-5alphaH-guai-1(2),11(13)-dien-12,8alpha-olide | C15H20O4

4β,10α-dihydroxy-5αH-guai-1(2),11(13)-dien-12,8α-olide

  • Molecular FormulaC15H20O4
  • Average mass264.317 Da
  • Monoisotopic mass264.136169 Da
  • ChemSpider ID26379204

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aR,4aR,5S,8R,9aS)-5,8-Dihydroxy-5,8-dimethyl-3-methylen-3a,4,4a,5,6,8,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-on [German] [ACD/IUPAC Name]
(3aR,4aR,5S,8R,9aS)-5,8-Dihydroxy-5,8-dimethyl-3-methylene-3a,4,4a,5,6,8,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one [ACD/IUPAC Name]
(3aR,4aR,5S,8R,9aS)-5,8-Dihydroxy-5,8-diméthyl-3-méthylène-3a,4,4a,5,6,8,9,9a-octahydroazuléno[6,5-b]furan-2(3H)-one [French] [ACD/IUPAC Name]
4β,10α-dihydroxy-5αH-guai-1(2),11(13)-dien-12,8α-olide
Azuleno[6,5-b]furan-2(3H)-one, 3a,4,4a,5,6,8,9,9a-octahydro-5,8-dihydroxy-5,8-dimethyl-3-methylene-, (3aR,4aR,5S,8R,9aS)- [ACD/Index Name]
(3aR,4aR,5S,8R,9aS)-5,8-dihydroxy-5,8-dimethyl-3-methylidene-3a,4,4a,5,6,8,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 481.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 86.0±6.0 kJ/mol
Flash Point: 182.3±22.2 °C
Index of Refraction: 1.580
Molar Refractivity: 69.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.42
ACD/KOC (pH 5.5): 100.86
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 4.42
ACD/KOC (pH 7.4): 100.86
Polar Surface Area: 67 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 208.8±5.0 cm3

Click to predict properties on the Chemicalize site


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