ChemSpider 2D Image | Methyl 4-(1,5-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)-2,3-dihydroxy-3-methylbutanoate | C20H18O8

Methyl 4-(1,5-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)-2,3-dihydroxy-3-methylbutanoate

  • Molecular FormulaC20H18O8
  • Average mass386.352 Da
  • Monoisotopic mass386.100159 Da
  • ChemSpider ID28650055

More details:






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

2-Anthracenebutanoic acid, 9,10-dihydro-α,β,1,5-tetrahydroxy-β-methyl-9,10-dioxo-, methyl ester [ACD/Index Name]
4-(1,5-Dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracényl)-2,3-dihydroxy-3-méthylbutanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-(1,5-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)-2,3-dihydroxy-3-methylbutanoate [ACD/IUPAC Name]
Methyl-4-(1,5-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)-2,3-dihydroxy-3-methylbutanoat [German] [ACD/IUPAC Name]
Amycomycin A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 651.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 234.4±25.0 °C
Index of Refraction: 1.675
Molar Refractivity: 95.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 138.56
ACD/KOC (pH 5.5): 1150.55
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 7.32
ACD/KOC (pH 7.4): 60.74
Polar Surface Area: 141 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 79.6±3.0 dyne/cm
Molar Volume: 253.7±3.0 cm3

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