ChemSpider 2D Image | 8-Demethyltetracenomycin C | C22H18O11

8-Demethyltetracenomycin C

  • Molecular FormulaC22H18O11
  • Average mass458.372 Da
  • Monoisotopic mass458.084900 Da
  • ChemSpider ID30791092
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(6aR,7S,10aR)-3,6a,7,10a,12-Pentahydroxy-8-méthoxy-1-méthyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydro-2-tétracènecarboxylate de méthyle [French] [ACD/IUPAC Name]
2-Naphthacenecarboxylic acid, 6,6a,7,10,10a,11-hexahydro-3,6a,7,10a,12-pentahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-, methyl ester, (6aR,7S,10aR)- [ACD/Index Name]
8-Demethyltetracenomycin C
Methyl (6aR,7S,10aR)-3,6a,7,10a,12-pentahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydro-2-tetracenecarboxylate [ACD/IUPAC Name]
Methyl-(6aR,7S,10aR)-3,6a,7,10a,12-pentahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydro-2-tetracencarboxylat [German] [ACD/IUPAC Name]
71135-22-3 [RN]
methyl (6aR,7S,10aR)-3,6a,7,10a,12-pentahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydrotetracene-2-carboxylate

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

Density: 1.8±0.1 g/cm3
Boiling Point: 785.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 277.2±26.4 °C
Index of Refraction: 1.757
Molar Refractivity: 107.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 95.13
ACD/KOC (pH 5.5): 666.66
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 1.70
ACD/KOC (pH 7.4): 11.90
Polar Surface Area: 188 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 108.5±5.0 dyne/cm
Molar Volume: 260.9±5.0 cm3

Click to predict properties on the Chemicalize site






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