ChemSpider 2D Image | (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,12,12a-tetrahydroxy-6-methyl-1,3,11-trioxo-4,4a,5,5a-tetrahydro-2H-tetracene-2-carboxamide | C22H24N2O8

(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,12,12a-tetrahydroxy-6-methyl-1,3,11-trioxo-4,4a,5,5a-tetrahydro-2H-tetracene-2-carboxamide

  • Molecular FormulaC22H24N2O8
  • Average mass444.435 Da
  • Monoisotopic mass444.153259 Da
  • ChemSpider ID61713125

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2R,4S,4aS,5aS,6S,12aS)-4-(Dimethylamino)-6,10,12,12a-tetrahydroxy-6-methyl-1,3,11-trioxo-1,2,3,4,4a,5,5a,6,11,12a-decahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(2R,4S,4aS,5aS,6S,12aS)-4-(Dimethylamino)-6,10,12,12a-tetrahydroxy-6-methyl-1,3,11-trioxo-1,2,3,4,4a,5,5a,6,11,12a-decahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(2R,4S,4aS,5aS,6S,12aS)-4-(Diméthylamino)-6,10,12,12a-tétrahydroxy-6-méthyl-1,3,11-trioxo-1,2,3,4,4a,5,5a,6,11,12a-décahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
(4S,4aS,5aS,6S,12aS)-4-(Dimethylamino)-6,10,12,12a-tetrahydroxy-6-methyl-1,3,11-trioxo-1,2,3,4,4a,5,5a,6,11,12a-decahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4S,4aS,5aS,6S,12aS)-4-(Dimethylamino)-6,10,12,12a-tetrahydroxy-6-methyl-1,3,11-trioxo-1,2,3,4,4a,5,5a,6,11,12a-decahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4S,4aS,5aS,6S,12aS)-4-(Diméthylamino)-6,10,12,12a-tétrahydroxy-6-méthyl-1,3,11-trioxo-1,2,3,4,4a,5,5a,6,11,12a-décahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,12,12a-tetrahydroxy-6-methyl-1,3,11-trioxo-1,2,3,4,4a,5,5a,6,11,12a-decahydrotetracene-2-carboxamide
(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,12,12a-tetrahydroxy-6-methyl-1,3,11-trioxo-4,4a,5,5a-tetrahydro-2H-tetracene-2-carboxamide
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,2,3,4,4a,5,5a,6,11,12a-decahydro-6,10,12,12a-tetrahydroxy-6-methyl-1,3,11-trioxo-, (2R,4S,4aS,5aS,6S,12aS)- [ACD/Index Name]
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,2,3,4,4a,5,5a,6,11,12a-decahydro-6,10,12,12a-tetrahydroxy-6-methyl-1,3,11-trioxo-, (4S,4aS,5aS,6S,12aS)- [ACD/Index Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 822.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.3±3.0 kJ/mol
Flash Point: 451.3±34.3 °C
Index of Refraction: 1.708
Molar Refractivity: 108.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 0.49
ACD/LogD (pH 5.5): -2.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 93.2±5.0 dyne/cm
Molar Volume: 277.4±5.0 cm3

Click to predict properties on the Chemicalize site


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