ChemSpider 2D Image | 1,6,7,9,11-Pentahydroxy-8,13-dioxo-3-pentyl-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acid | C28H24O9

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

  • Molecular FormulaC28H24O9
  • Average mass504.485 Da
  • Monoisotopic mass504.142029 Da
  • ChemSpider ID172046

More details:






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

1,6,7,9,11-Pentahydroxy-8,13-dioxo-3-pentyl-5,6,8,13-tetrahydrobenzo[a]tetracen-2-carbonsäure [German] [ACD/IUPAC Name]
1,6,7,9,11-Pentahydroxy-8,13-dioxo-3-pentyl-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acid [ACD/IUPAC Name]
5,6,8,13-Tetrahydro-1,6,7,9,11-pentahydroxy-8,13-dioxo-3-pentylbenzo[a]naphthacene-2-carboxylic acid
607379-24-8 [RN]
Acide 1,6,7,9,11-pentahydroxy-8,13-dioxo-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-1,6,7,9,11-pentahydroxy-8,13-dioxo-3-pentyl- [ACD/Index Name]
151013-37-5 [RN]
Benzo[a]naphthacene-2-carboxylicacid, 5,6,8,13-tetrahydro-1,6,7,9,11-pentahydroxy-8,13-dioxo-3-pentyl-, (-)-(9CI)
Bequinostatin A

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

Density: 1.6±0.1 g/cm3
Boiling Point: 843.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.4±3.0 kJ/mol
Flash Point: 477.5±30.8 °C
Index of Refraction: 1.746
Molar Refractivity: 130.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 8.16
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 154.05
ACD/KOC (pH 5.5): 145.24
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 3.98
ACD/KOC (pH 7.4): 3.75
Polar Surface Area: 173 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 89.7±3.0 dyne/cm
Molar Volume: 321.3±3.0 cm3

Click to predict properties on the Chemicalize site






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