ChemSpider 2D Image | alatolide | C19H26O6

alatolide

  • Molecular FormulaC19H26O6
  • Average mass350.406 Da
  • Monoisotopic mass350.172943 Da
  • ChemSpider ID23325517

  • 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

(3aR,4S,10Z,11aR)-6,10-Bis(hydroxymethyl)-3-methylen-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl-2-methylpropanoat [German] [ACD/IUPAC Name]
(3aR,4S,10Z,11aR)-6,10-Bis(hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylpropanoate [ACD/IUPAC Name]
(3aR,4S,10Z,11aR)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylpropanoate
2-Méthylpropanoate de (3aR,4S,10Z,11aR)-6,10-bis(hydroxyméthyl)-3-méthylène-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodéca[b]furan-4-yle [French] [ACD/IUPAC Name]
alatolide
Propanoic acid, 2-methyl-, (3aR,4S,10Z,11aR)-2,3,3a,4,5,8,9,11a-octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester [ACD/Index Name]
(3aR,4S,11aR)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 2-methylpropanoate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL405877/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 560.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.9±6.0 kJ/mol
Flash Point: 198.2±23.6 °C
Index of Refraction: 1.547
Molar Refractivity: 91.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.63
ACD/KOC (pH 5.5): 552.92
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.63
ACD/KOC (pH 7.4): 552.92
Polar Surface Area: 93 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 288.5±5.0 cm3

Click to predict properties on the Chemicalize site


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