ChemSpider 2D Image | (3aR,4S,13aR)-6,7,9,10-Tetramethoxy-1-oxo-1,3,3a,4,13,13a-hexahydrodibenzo[4,5:6,7]cycloocta[1,2-c]furan-4-yl (2Z)-2-methyl-2-butenoate | C27H30O8

(3aR,4S,13aR)-6,7,9,10-Tetramethoxy-1-oxo-1,3,3a,4,13,13a-hexahydrodibenzo[4,5:6,7]cycloocta[1,2-c]furan-4-yl (2Z)-2-methyl-2-butenoate

  • Molecular FormulaC27H30O8
  • Average mass482.522 Da
  • Monoisotopic mass482.194061 Da
  • ChemSpider ID22943328

  • 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

(2Z)-2-Méthyl-2-buténoate de (3aR,4S,13aR)-6,7,9,10-tétraméthoxy-1-oxo-1,3,3a,4,13,13a-hexahydrodibenzo[4,5:6,7]cycloocta[1,2-c]furan-4-yle [French] [ACD/IUPAC Name]
(3aR,4S,13aR)-6,7,9,10-Tetramethoxy-1-oxo-1,3,3a,4,13,13a-hexahydrodibenzo[4,5:6,7]cycloocta[1,2-c]furan-4-yl (2Z)-2-methyl-2-butenoate [ACD/IUPAC Name]
(3aR,4S,13aR)-6,7,9,10-Tetramethoxy-1-oxo-1,3,3a,4,13,13a-hexahydrodibenzo[4,5:6,7]cycloocta[1,2-c]furan-4-yl-(2Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (3aR,4S,13aR)-1,3,3a,4,13,13a-hexahydro-6,7,9,10-tetramethoxy-1-oxodibenzo[4,5:6,7]cycloocta[1,2-c]furan-4-yl ester, (2Z)- [ACD/Index 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: 654.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 278.7±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 127.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 385.10
ACD/KOC (pH 5.5): 2468.07
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 385.10
ACD/KOC (pH 7.4): 2468.07
Polar Surface Area: 90 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 379.0±5.0 cm3

Click to predict properties on the Chemicalize site


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