ChemSpider 2D Image | 1,7,9,11-Tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acid | C30H30O7

1,7,9,11-Tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acid

  • Molecular FormulaC30H30O7
  • Average mass502.555 Da
  • Monoisotopic mass502.199158 Da
  • ChemSpider ID112338

More details:






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

1,7,9,11-Tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-5,6,8,13-tetrahydrobenzo[a]tetracen-2-carbonsäure [German] [ACD/IUPAC Name]
1,7,9,11-Tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acid [ACD/IUPAC Name]
Acide 1,7,9,11-tétrahydroxy-13,13-diméthyl-8-oxo-3-pentyl-5,6,8,13-tétrahydrobenzo[a]tétracène-2-carboxylique [French] [ACD/IUPAC Name]
Benzo[a]naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl- [ACD/Index Name]
138968-86-2 [RN]
Benastatin B
Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-13,13-dimethyl-8-oxo-3-pentyl-1,7,9,11-tetrahydroxy-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 759.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 426.9±29.4 °C
Index of Refraction: 1.677
Molar Refractivity: 137.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 10.14
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 9170.39
ACD/KOC (pH 5.5): 3076.04
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 1495.04
ACD/KOC (pH 7.4): 501.48
Polar Surface Area: 135 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 66.3±3.0 dyne/cm
Molar Volume: 366.2±3.0 cm3

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