ChemSpider 2D Image | cryptobeilic acid C | C22H20O5

cryptobeilic acid C

  • Molecular FormulaC22H20O5
  • Average mass364.391 Da
  • Monoisotopic mass364.131073 Da
  • ChemSpider ID28536086

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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(1S,1aS,2aR,5aR,7aR,7bS,7cS)-1-(1,3-Benzodioxol-5-ylmethyl)-3-oxo-1a,2,2a,3,5a,7a,7b,7c-octahydro-1H-cyclobuta[bc]acenaphthylen-5-carbonsäure [German] [ACD/IUPAC Name]
(1S,1aS,2aR,5aR,7aR,7bS,7cS)-1-(1,3-Benzodioxol-5-ylmethyl)-3-oxo-1a,2,2a,3,5a,7a,7b,7c-octahydro-1H-cyclobuta[bc]acenaphthylene-5-carboxylic acid [ACD/IUPAC Name]
1H-Cyclobut[bc]acenaphthylene-5-carboxylic acid, 1-(1,3-benzodioxol-5-ylmethyl)-1a,2,2a,3,5a,7a,7b,7c-octahydro-3-oxo-, (1S,1aS,2aR,5aR,7aR,7bS,7cS)- [ACD/Index Name]
Acide (1S,1aS,2aR,5aR,7aR,7bS,7cS)-1-(1,3-benzodioxol-5-ylméthyl)-3-oxo-1a,2,2a,3,5a,7a,7b,7c-octahydro-1H-cyclobuta[bc]acénaphtylène-5-carboxylique [French] [ACD/IUPAC Name]
cryptobeilic acid C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 556.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 200.0±23.6 °C
Index of Refraction: 1.662
Molar Refractivity: 94.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.64
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 256.5±3.0 cm3

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