ChemSpider 2D Image | (6R,7R)-3-[(1E)-3-Acetoxy-1-propen-1-yl]-7-hydroxy-7-methyl-8-oxo-5,6,7,8-tetrahydro-1H-isochromen-6-yl 2,4-diacetoxy-6-methylbenzoate | C27H28O11

(6R,7R)-3-[(1E)-3-Acetoxy-1-propen-1-yl]-7-hydroxy-7-methyl-8-oxo-5,6,7,8-tetrahydro-1H-isochromen-6-yl 2,4-diacetoxy-6-methylbenzoate

  • Molecular FormulaC27H28O11
  • Average mass528.505 Da
  • Monoisotopic mass528.163147 Da
  • ChemSpider ID9960520

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6R,7R)-3-[(1E)-3-Acetoxy-1-propen-1-yl]-7-hydroxy-7-methyl-8-oxo-5,6,7,8-tetrahydro-1H-isochromen-6-yl 2,4-diacetoxy-6-methylbenzoate [ACD/IUPAC Name]
(6R,7R)-3-[(1E)-3-Acetoxy-1-propen-1-yl]-7-hydroxy-7-methyl-8-oxo-5,6,7,8-tetrahydro-1H-isochromen-6-yl-2,4-diacetoxy-6-methylbenzoat [German] [ACD/IUPAC Name]
2,4-Diacétoxy-6-méthylbenzoate de (6R,7R)-3-[(1E)-3-acétoxy-1-propén-1-yl]-7-hydroxy-7-méthyl-8-oxo-5,6,7,8-tétrahydro-1H-isochromén-6-yle [French] [ACD/IUPAC Name]
Benzoic acid, 2,4-bis(acetyloxy)-6-methyl-, (6R,7R)-3-[(1E)-3-(acetyloxy)-1-propen-1-yl]-5,6,7,8-tetrahydro-7-hydroxy-7-methyl-8-oxo-1H-2-benzopyran-6-yl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 684.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 224.8±25.0 °C
Index of Refraction: 1.588
Molar Refractivity: 129.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.30
ACD/KOC (pH 5.5): 409.41
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.30
ACD/KOC (pH 7.4): 409.37
Polar Surface Area: 152 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 385.6±5.0 cm3

Click to predict properties on the Chemicalize site


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