ChemSpider 2D Image | Methyl 5,7-dihydroxy-2,2,9-trimethyl-6,11-dioxo-6,11-dihydro-2H-naphtho[2,3-g]chromene-8-carboxylate | C22H18O7

Methyl 5,7-dihydroxy-2,2,9-trimethyl-6,11-dioxo-6,11-dihydro-2H-naphtho[2,3-g]chromene-8-carboxylate

  • Molecular FormulaC22H18O7
  • Average mass394.374 Da
  • Monoisotopic mass394.105255 Da
  • ChemSpider ID24741194

More details:

Featured data source
Natural Product Updates

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

2H-Anthra[2,3-b]pyran-8-carboxylic acid, 6,11-dihydro-5,7-dihydroxy-2,2,9-trimethyl-6,11-dioxo-, methyl ester [ACD/Index Name]
5,7-Dihydroxy-2,2,9-triméthyl-6,11-dioxo-6,11-dihydro-2H-naphto[2,3-g]chromène-8-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5,7-dihydroxy-2,2,9-trimethyl-6,11-dioxo-6,11-dihydro-2H-naphtho[2,3-g]chromene-8-carboxylate [ACD/IUPAC Name]
Methyl-5,7-dihydroxy-2,2,9-trimethyl-6,11-dioxo-6,11-dihydro-2H-naphtho[2,3-g]chromen-8-carboxylat [German] [ACD/IUPAC Name]
laurentiquinone B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 626.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 223.0±25.0 °C
Index of Refraction: 1.648
Molar Refractivity: 101.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.19
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 10540.32
ACD/KOC (pH 5.5): 23406.28
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 75.18
ACD/KOC (pH 7.4): 166.94
Polar Surface Area: 110 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 279.7±3.0 cm3

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