ChemSpider 2D Image | NOGALAVIKETONE | C21H16O8

NOGALAVIKETONE

  • Molecular FormulaC21H16O8
  • Average mass396.347 Da
  • Monoisotopic mass396.084503 Da
  • ChemSpider ID30791360

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-2,5,7-Trihydroxy-2-méthyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tétracènecarboxylate de méthyle [French] [ACD/IUPAC Name]
1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-2-methyl-4,6,11-trioxo-, methyl ester, (1R,2S)- [ACD/Index Name]
Methyl (1R,2S)-2,5,7-trihydroxy-2-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate [ACD/IUPAC Name]
Methyl-(1R,2S)-2,5,7-trihydroxy-2-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracencarboxylat [German] [ACD/IUPAC Name]
NOGALAVIKETONE
methyl (1R,2S)-2,5,7-trihydroxy-2-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-1-CARBOXYLATE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 660.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 237.8±25.0 °C
Index of Refraction: 1.691
Molar Refractivity: 96.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 52.07
ACD/KOC (pH 5.5): 293.17
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.30
Polar Surface Area: 138 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 80.1±3.0 dyne/cm
Molar Volume: 252.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement