ChemSpider 2D Image | (4aS,12aS)-3,10,11,12a-Tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydro-2-tetracenecarboxamide | C20H17NO7

(4aS,12aS)-3,10,11,12a-Tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydro-2-tetracenecarboxamide

  • Molecular FormulaC20H17NO7
  • Average mass383.352 Da
  • Monoisotopic mass383.100494 Da
  • ChemSpider ID25056622

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aS,12aS)-3,10,11,12a-Tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4aS,12aS)-3,10,11,12a-Tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4aS,12aS)-3,10,11,12a-Tétrahydroxy-6-méthyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
(4as,12as)-3,10,11,12a-Tetrahydroxy-6-Methyl-1,12-Dioxo-1,4,4a,5,12,12a-Hexahydrotetracene-2-Carboxamide
2-Naphthacenecarboxamide, 1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-, (4aS,12aS)- [ACD/Index Name]
4DM

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

Density: 1.7±0.1 g/cm3
Boiling Point: 700.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 377.7±32.9 °C
Index of Refraction: 1.810
Molar Refractivity: 97.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.51
ACD/LogD (pH 7.4): -2.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 111.4±3.0 dyne/cm
Molar Volume: 224.9±3.0 cm3

Click to predict properties on the Chemicalize site


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