ChemSpider 2D Image | 1,7,9,11-Tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-8,13-dihydrobenzo[a]tetracene-2-carboxylic acid | C30H28O7

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

  • Molecular FormulaC30H28O7
  • Average mass500.539 Da
  • Monoisotopic mass500.183502 Da
  • ChemSpider ID112337

More details:

Featured data source
Natural Product Updates

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

1,7,9,11-Tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-8,13-dihydrobenzo[a]tetracen-2-carbonsäure [German] [ACD/IUPAC Name]
1,7,9,11-Tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-8,13-dihydrobenzo[a]tetracene-2-carboxylic acid [ACD/IUPAC Name]
Acide 1,7,9,11-tétrahydroxy-13,13-diméthyl-8-oxo-3-pentyl-8,13-dihydrobenzo[a]tétracène-2-carboxylique [French] [ACD/IUPAC Name]
Benzo[a]naphthacene-2-carboxylic acid, 8,13-dihydro-1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl- [ACD/Index Name]
138968-85-1 [RN]
Benastatin A
Benzo(a)naphthacene-2-carboxylic acid, 8,13-dihydro-13,13-dimethyl-8-oxo-3-pentyl-1,7,9,11-tetrahydroxy-
Benzo[a]naphthacene-2-carboxylicacid, 8,13-dihydro-1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 772.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.0±3.0 kJ/mol
Flash Point: 435.0±29.4 °C
Index of Refraction: 1.721
Molar Refractivity: 141.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 9.78
ACD/LogD (pH 5.5): 6.35
ACD/BCF (pH 5.5): 8637.11
ACD/KOC (pH 5.5): 3794.14
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 794.75
ACD/KOC (pH 7.4): 349.12
Polar Surface Area: 135 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 70.2±3.0 dyne/cm
Molar Volume: 357.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement