ChemSpider 2D Image | fredericamycin C2 | C27H20O11

fredericamycin C2

  • Molecular FormulaC27H20O11
  • Average mass520.441 Da
  • Monoisotopic mass520.100586 Da
  • ChemSpider ID85696860

More details:

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

1,7,9,12,14-Pentahydroxy-10-methoxy-8,13-dioxo-3-(2-oxopropyl)-5,6,8,13-tetrahydrobenzo[a]tetracen-2-carbonsäure [German] [ACD/IUPAC Name]
1,7,9,12,14-Pentahydroxy-10-methoxy-8,13-dioxo-3-(2-oxopropyl)-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acid [ACD/IUPAC Name]
Acide 1,7,9,12,14-pentahydroxy-10-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-1,7,9,12,14-pentahydroxy-10-methoxy-8,13-dioxo-3-(2-oxopropyl)- [ACD/Index Name]
fredericamycin C2

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

Density: 1.7±0.1 g/cm3
Boiling Point: 865.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±3.0 kJ/mol
Flash Point: 295.5±27.8 °C
Index of Refraction: 1.761
Molar Refractivity: 128.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 4
ACD/LogP: 7.39
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 23.14
ACD/KOC (pH 5.5): 39.53
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.34
Polar Surface Area: 199 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 95.9±3.0 dyne/cm
Molar Volume: 310.8±3.0 cm3

Click to predict properties on the Chemicalize site


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