ChemSpider 2D Image | (3aS,4S,5R,6R,8Z,10R,11aR)-5-Acetoxy-6-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-2,3,3a,4,5,6,7,10,11,11a-decahydrocyclodeca[b]furan-4-yl methacrylate | C21H26O8

(3aS,4S,5R,6R,8Z,10R,11aR)-5-Acetoxy-6-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-2,3,3a,4,5,6,7,10,11,11a-decahydrocyclodeca[b]furan-4-yl methacrylate

  • Molecular FormulaC21H26O8
  • Average mass406.426 Da
  • Monoisotopic mass406.162781 Da
  • ChemSpider ID22913108

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3aS,4S,5R,6R,8Z,10R,11aR)-5-Acetoxy-6-hydroxy-6,10-dimethyl-3-methylen-2,7-dioxo-2,3,3a,4,5,6,7,10,11,11a-decahydrocyclodeca[b]furan-4-ylmethacrylat [German] [ACD/IUPAC Name]
(3aS,4S,5R,6R,8Z,10R,11aR)-5-Acetoxy-6-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-2,3,3a,4,5,6,7,10,11,11a-decahydrocyclodeca[b]furan-4-yl methacrylate [ACD/IUPAC Name]
2-Propenoic acid, 2-methyl-, (3aS,4S,5R,6R,8Z,10R,11aR)-5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester [ACD/Index Name]
Méthacrylate de (3aS,4S,5R,6R,8Z,10R,11aR)-5-acétoxy-6-hydroxy-6,10-diméthyl-3-méthylène-2,7-dioxo-2,3,3a,4,5,6,7,10,11,11a-décahydrocyclodéca[b]furan-4-yle [French] [ACD/IUPAC Name]
[(3aS,4S,6R,8Z,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
Compound NP-002768

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

Density: 1.2±0.1 g/cm3
Boiling Point: 565.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.6±6.0 kJ/mol
Flash Point: 193.4±23.6 °C
Index of Refraction: 1.533
Molar Refractivity: 101.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 36.98
ACD/KOC (pH 5.5): 461.25
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 36.97
ACD/KOC (pH 7.4): 461.23
Polar Surface Area: 116 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 326.4±5.0 cm3

Click to predict properties on the Chemicalize site


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