ChemSpider 2D Image | (4aR,12aR)-1,4a,8,10,11,12a-Hexahydroxy-3,12-dioxo-3,4,4a,5,12,12a-hexahydro-2-tetracenecarboxamide | C19H15NO9

(4aR,12aR)-1,4a,8,10,11,12a-Hexahydroxy-3,12-dioxo-3,4,4a,5,12,12a-hexahydro-2-tetracenecarboxamide

  • Molecular FormulaC19H15NO9
  • Average mass401.324 Da
  • Monoisotopic mass401.074677 Da
  • ChemSpider ID78442807

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,12aR)-1,4a,8,10,11,12a-Hexahydroxy-3,12-dioxo-3,4,4a,5,12,12a-hexahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4aR,12aR)-1,4a,8,10,11,12a-Hexahydroxy-3,12-dioxo-3,4,4a,5,12,12a-hexahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4aR,12aR)-1,4a,8,10,11,12a-Hexahydroxy-3,12-dioxo-3,4,4a,5,12,12a-hexahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
2-Naphthacenecarboxamide, 3,4,4a,5,12,12a-hexahydro-1,4a,8,10,11,12a-hexahydroxy-3,12-dioxo-, (4aR,12aR)- [ACD/Index Name]
8-O-desmethylanthrotainin

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

Density: 2.0±0.1 g/cm3
Boiling Point: 773.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 421.8±32.9 °C
Index of Refraction: 1.943
Molar Refractivity: 95.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 1.99
ACD/LogD (pH 5.5): -2.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 174.9±3.0 dyne/cm
Molar Volume: 198.8±3.0 cm3

Click to predict properties on the Chemicalize site


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