ChemSpider 2D Image | (1aS,3S,3aS,3bR,4R,7S,7aR)-4,7-Dihydroxy-3a,5,5-trimethylhexahydro-3aH-spiro[cyclopenta[4,5]pentaleno[1,6a-b]oxirene-3,2'-oxiran]-2(1aH)-one | C15H20O5

(1aS,3S,3aS,3bR,4R,7S,7aR)-4,7-Dihydroxy-3a,5,5-trimethylhexahydro-3aH-spiro[cyclopenta[4,5]pentaleno[1,6a-b]oxirene-3,2'-oxiran]-2(1aH)-one

  • Molecular FormulaC15H20O5
  • Average mass280.316 Da
  • Monoisotopic mass280.131073 Da
  • ChemSpider ID74160568

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1aS,3S,3aS,3bR,4R,7S,7aR)-4,7-Dihydroxy-3a,5,5-trimethylhexahydro-3aH-spiro[cyclopenta[4,5]pentaleno[1,6a-b]oxirene-3,2'-oxiran]-2(1aH)-one [ACD/IUPAC Name]
Spiro[cyclopenta[4,5]pentaleno[1,6a-b]oxirene-3(4H),2'-oxiran]-2(1aH)-one, hexahydro-4,7-dihydroxy-3a,5,5-trimethyl-, (1aS,3S,3aS,3bR,4R,7S,7aR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 479.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.7±6.0 kJ/mol
Flash Point: 183.2±22.2 °C
Index of Refraction: 1.629
Molar Refractivity: 67.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.16
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.21
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.21
Polar Surface Area: 83 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 191.1±5.0 cm3

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