ChemSpider 2D Image | (6R)-1,6,9,14-Tetrahydroxy-7-methoxy-8,13-dioxo-3-(2-oxopropyl)-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acid | C27H20O10

(6R)-1,6,9,14-Tetrahydroxy-7-methoxy-8,13-dioxo-3-(2-oxopropyl)-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acid

  • Molecular FormulaC27H20O10
  • Average mass504.442 Da
  • Monoisotopic mass504.105652 Da
  • ChemSpider ID71048482

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6R)-1,6,9,14-Tetrahydroxy-7-methoxy-8,13-dioxo-3-(2-oxopropyl)-5,6,8,13-tetrahydrobenzo[a]tetracen-2-carbonsäure [German] [ACD/IUPAC Name]
(6R)-1,6,9,14-Tetrahydroxy-7-methoxy-8,13-dioxo-3-(2-oxopropyl)-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acid [ACD/IUPAC Name]
Acide (6R)-1,6,9,14-tétrahydroxy-7-méthoxy-8,13-dioxo-3-(2-oxopropyl)-5,6,8,13-tétrahydrobenzo[a]tétracène-2-carboxylique [French] [ACD/IUPAC Name]
Benzo[a]naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-7-methoxy-8,13-dioxo-3-(2-oxopropyl)-, (6R)- [ACD/Index Name]
Hexaricin H

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

Density: 1.6±0.1 g/cm3
Boiling Point: 842.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.3±3.0 kJ/mol
Flash Point: 288.8±27.8 °C
Index of Refraction: 1.744
Molar Refractivity: 125.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.87
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 89.8±3.0 dyne/cm
Molar Volume: 311.0±3.0 cm3

Click to predict properties on the Chemicalize site


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