ChemSpider 2D Image | CSID:13102080 | C29H39ClO6

  • Molecular FormulaC29H39ClO6
  • Average mass519.069 Da
  • Monoisotopic mass518.243530 Da
  • ChemSpider ID13102080

  • defined stereocentres - 5 of 12 defined stereocentres

More details:

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

(1S,5S,6R,9S,11S)-6-Chlor-9-formyl-13-isopropyl-5-methyl-2-{[(7-methyl-3-methylenhexahydro-2H-furo[2,3-c]pyran-5-yl)oxy]methyl}tetracyclo[7.4.0.02,11.04,8]tridec-12-en-1-carbonsäure [German] [ACD/IUPAC Name]
Acide (1S,5S,6R,9S,11S)-6-chloro-9-formyl-13-isopropyl-5-méthyl-2-{[(7-méthyl-3-méthylènehexahydro-2H-furo[2,3-c]pyran-5-yl)oxy]méthyl}tétracyclo[7.4.0.02,11.04,8]tridéc-12-ène-1-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 628.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 101.5±6.0 kJ/mol
Flash Point: 334.1±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 135.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 25.84
ACD/KOC (pH 5.5): 109.04
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.64
Polar Surface Area: 82 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 406.4±5.0 cm3

Click to predict properties on the Chemicalize site


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