ChemSpider 2D Image | (6R)-6,7,9,14-Tetrahydroxy-10-(hydroxymethyl)-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acid | C25H18O9

(6R)-6,7,9,14-Tetrahydroxy-10-(hydroxymethyl)-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acid

  • Molecular FormulaC25H18O9
  • Average mass462.405 Da
  • Monoisotopic mass462.095093 Da
  • ChemSpider ID58830442

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6R)-6,7,9,14-Tetrahydroxy-10-(hydroxymethyl)-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-carbonsäure [German] [ACD/IUPAC Name]
(6R)-6,7,9,14-Tetrahydroxy-10-(hydroxymethyl)-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acid [ACD/IUPAC Name]
Acide (6R)-6,7,9,14-tétrahydroxy-10-(hydroxyméthyl)-3-méthyl-8,13-dioxo-5,6,8,13-tétrahydrobenzo[a]tétracène-2-carboxylique [French] [ACD/IUPAC Name]
Benzo[a]naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-6,7,9,14-tetrahydroxy-10-(hydroxymethyl)-3-methyl-8,13-dioxo-, (6R)- [ACD/Index Name]
Nomuricin

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

Density: 1.7±0.1 g/cm3
Boiling Point: 819.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.9±3.0 kJ/mol
Flash Point: 463.5±30.8 °C
Index of Refraction: 1.806
Molar Refractivity: 116.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 15.08
ACD/KOC (pH 5.5): 55.22
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 106.2±3.0 dyne/cm
Molar Volume: 270.6±3.0 cm3

Click to predict properties on the Chemicalize site


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