ChemSpider 2D Image | (1aR,2E,4aR,6S,7S,7aR,8S,10S,11aS)-4a,7,8,10-Tetrahydroxy-1,1,3,6-tetramethyl-9-methylene-1,1a,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-4H-cyclopenta[a]cyclopropa[f][11]annulen-4-one | C20H30O5

(1aR,2E,4aR,6S,7S,7aR,8S,10S,11aS)-4a,7,8,10-Tetrahydroxy-1,1,3,6-tetramethyl-9-methylene-1,1a,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-4H-cyclopenta[a]cyclopropa[f][11]annulen-4-one

  • Molecular FormulaC20H30O5
  • Average mass350.449 Da
  • Monoisotopic mass350.209320 Da
  • ChemSpider ID113060371

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1aR,2E,4aR,6S,7S,7aR,8S,10S,11aS)-4a,7,8,10-Tetrahydroxy-1,1,3,6-tetramethyl-9-methylen-1,1a,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-4H-cyclopenta[a]cyclopropa[f][11]annulen-4-on [German] [ACD/IUPAC Name]
(1aR,2E,4aR,6S,7S,7aR,8S,10S,11aS)-4a,7,8,10-Tetrahydroxy-1,1,3,6-tetramethyl-9-methylene-1,1a,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-4H-cyclopenta[a]cyclopropa[f][11]annulen-4-one [ACD/IUPAC Name]
(1aR,2E,4aR,6S,7S,7aR,8S,10S,11aS)-4a,7,8,10-Tétrahydroxy-1,1,3,6-tétraméthyl-9-méthylène-1,1a,4a,5,6,7,7a,8,9,10,11,11a-dodécahydro-4H-cyclopenta[a]cyclopropa[f][11]annulén-4-one [French] [ACD/IUPAC Name]
4H-Cyclopenta[a]cyclopropa[f]cycloundecen-4-one, 1,1a,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-4a,7,8,10-tetrahydroxy-1,1,3,6-tetramethyl-9-methylene-, (1aR,2E,4aR,6S,7S,7aR,8S,10S,11aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 548.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.2±6.0 kJ/mol
Flash Point: 299.7±26.6 °C
Index of Refraction: 1.583
Molar Refractivity: 93.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.01
ACD/KOC (pH 5.5): 253.30
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.01
ACD/KOC (pH 7.4): 253.30
Polar Surface Area: 98 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 281.0±5.0 cm3

Click to predict properties on the Chemicalize site


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