ChemSpider 2D Image | 2a,4a,7-Trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate | C23H30O8

2a,4a,7-Trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate

  • Molecular FormulaC23H30O8
  • Average mass434.479 Da
  • Monoisotopic mass434.194061 Da
  • ChemSpider ID35014040

More details:

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

2,4-Dihydroxy-6-méthylbenzoate de 2a,4a,7-trihydroxy-3-(hydroxyméthyl)-6,6,7b-triméthyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]indén-2-yle [French] [ACD/IUPAC Name]
2a,4a,7-Trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate [ACD/IUPAC Name]
2a,4a,7-Trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl-2,4-dihydroxy-6-methylbenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2,4-dihydroxy-6-methyl-, 2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester [ACD/Index Name]
2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H,2H,5H,7H,7aH-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate
Melledonol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 663.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 228.4±25.0 °C
Index of Refraction: 1.672
Molar Refractivity: 110.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.54
ACD/KOC (pH 5.5): 708.24
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 40.84
ACD/KOC (pH 7.4): 428.31
Polar Surface Area: 148 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 81.1±5.0 dyne/cm
Molar Volume: 293.8±5.0 cm3

Click to predict properties on the Chemicalize site


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