ChemSpider 2D Image | 9-Acetoxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 4-hydroxy-2-({[2-(hydroxymethyl)-2-butenoyl]oxy}methyl)-2-butenoate | C27H34O10

9-Acetoxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 4-hydroxy-2-({[2-(hydroxymethyl)-2-butenoyl]oxy}methyl)-2-butenoate

  • Molecular FormulaC27H34O10
  • Average mass518.553 Da
  • Monoisotopic mass518.215210 Da
  • ChemSpider ID2728733

More details:

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

2-Butenoic acid, 4-hydroxy-2-[[[2-(hydroxymethyl)-1-oxo-2-buten-1-yl]oxy]methyl]-, 9-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester [ACD/Index Name]
4-Hydroxy-2-({[2-(hydroxyméthyl)-2-butenoyl]oxy}méthyl)-2-buténoate de 9-acétoxy-6,10-diméthyl-3-méthylène-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodéca[b]furan-4-yle [French] [ACD/IUPAC Name]
9-Acetoxy-6,10-dimethyl-3-methylen-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl-4-hydroxy-2-({[2-(hydroxymethyl)-2-butenoyl]oxy}methyl)-2-butenoat [German] [ACD/IUPAC Name]
9-Acetoxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 4-hydroxy-2-({[2-(hydroxymethyl)-2-butenoyl]oxy}methyl)-2-butenoate [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: 693.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.2±6.0 kJ/mol
Flash Point: 225.7±25.0 °C
Index of Refraction: 1.556
Molar Refractivity: 131.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 130.39
ACD/KOC (pH 5.5): 1136.85
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 130.39
ACD/KOC (pH 7.4): 1136.84
Polar Surface Area: 146 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 409.4±5.0 cm3

Click to predict properties on the Chemicalize site


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