ChemSpider 2D Image | (5S,10Z,11aR)-5-Acetoxy-6,10-bis(hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate | C22H30O8

(5S,10Z,11aR)-5-Acetoxy-6,10-bis(hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate

  • Molecular FormulaC22H30O8
  • Average mass422.469 Da
  • Monoisotopic mass422.194061 Da
  • ChemSpider ID29814146

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(5S,10Z,11aR)-5-Acetoxy-6,10-bis(hydroxymethyl)-3-methylen-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl-2-methylbutanoat [German] [ACD/IUPAC Name]
(5S,10Z,11aR)-5-Acetoxy-6,10-bis(hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate [ACD/IUPAC Name]
2-Méthylbutanoate de (5S,10Z,11aR)-5-acétoxy-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]
Butanoic acid, 2-methyl-, (5S,10Z,11aR)-5-(acetyloxy)-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]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 608.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.6±6.0 kJ/mol
Flash Point: 206.4±25.0 °C
Index of Refraction: 1.543
Molar Refractivity: 107.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.45
ACD/KOC (pH 5.5): 868.07
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.45
ACD/KOC (pH 7.4): 868.07
Polar Surface Area: 119 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 340.4±5.0 cm3

Click to predict properties on the Chemicalize site


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