ChemSpider 2D Image | 3,10,11,12a-Tetrahydroxy-6-methyl-4-(methylamino)-1,12-dioxo-1,4,4a,5,12,12a-hexahydro-2-tetracenecarboxamide | C21H20N2O7

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

  • Molecular FormulaC21H20N2O7
  • Average mass412.393 Da
  • Monoisotopic mass412.127045 Da
  • ChemSpider ID129307488

More details:

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

2-Naphthacenecarboxamide, 1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-4-(methylamino)-1,12-dioxo- [ACD/Index Name]
3,10,11,12a-Tetrahydroxy-6-methyl-4-(methylamino)-1,12-dioxo-1,4,4a,5,12,12a-hexahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
3,10,11,12a-Tetrahydroxy-6-methyl-4-(methylamino)-1,12-dioxo-1,4,4a,5,12,12a-hexahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
3,10,11,12a-Tétrahydroxy-6-méthyl-4-(méthylamino)-1,12-dioxo-1,4,4a,5,12,12a-hexahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
4-Methylamino-4-de(dimethylamino)anhydrotetracycline
C21436

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

Density: 1.6±0.1 g/cm3
Boiling Point: 720.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 389.3±32.9 °C
Index of Refraction: 1.773
Molar Refractivity: 104.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 2.59
ACD/LogD (pH 5.5): -1.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 103.0±5.0 dyne/cm
Molar Volume: 250.2±5.0 cm3

Click to predict properties on the Chemicalize site


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