ChemSpider 2D Image | 17-dimethylaminolobohedleolide | C22H33NO4

17-dimethylaminolobohedleolide

  • Molecular FormulaC22H33NO4
  • Average mass375.502 Da
  • Monoisotopic mass375.240967 Da
  • ChemSpider ID65321692

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,3aS,6Z,10Z,14E,15aR)-3-[(Dimethylamino)methyl]-6,14-dimethyl-2-oxo-2,3,3a,4,5,8,9,12,13,15a-decahydrocyclotetradeca[b]furan-10-carbonsäure [German] [ACD/IUPAC Name]
(3R,3aS,6Z,10Z,14E,15aR)-3-[(Dimethylamino)methyl]-6,14-dimethyl-2-oxo-2,3,3a,4,5,8,9,12,13,15a-decahydrocyclotetradeca[b]furan-10-carboxylic acid [ACD/IUPAC Name]
17-dimethylaminolobohedleolide
Acide (3R,3aS,6Z,10Z,14E,15aR)-3-[(diméthylamino)méthyl]-6,14-diméthyl-2-oxo-2,3,3a,4,5,8,9,12,13,15a-décahydrocyclotétradéca[b]furane-10-carboxylique [French] [ACD/IUPAC Name]
Cyclotetradeca[b]furan-10-carboxylic acid, 3-[(dimethylamino)methyl]-2,3,3a,4,5,8,9,12,13,15a-decahydro-6,14-dimethyl-2-oxo-, (3R,3aS,6Z,10Z,14E,15aR)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 555.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 91.5±6.0 kJ/mol
Flash Point: 289.7±30.1 °C
Index of Refraction: 1.502
Molar Refractivity: 105.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 2.38
ACD/KOC (pH 5.5): 12.29
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 2.58
ACD/KOC (pH 7.4): 13.33
Polar Surface Area: 67 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 357.6±3.0 cm3

Click to predict properties on the Chemicalize site


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