ChemSpider 2D Image | (4R,4aR,5aS,12aR)-4-(Dimethylamino)-7-[4-(dimethylamino)phenyl]-10,12a-dihydroxy-9-nitro-1,3,11,12-tetraoxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydro-2-tetracenecarboxamide | C29H30N4O9

(4R,4aR,5aS,12aR)-4-(Dimethylamino)-7-[4-(dimethylamino)phenyl]-10,12a-dihydroxy-9-nitro-1,3,11,12-tetraoxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydro-2-tetracenecarboxamide

  • Molecular FormulaC29H30N4O9
  • Average mass578.570 Da
  • Monoisotopic mass578.201294 Da
  • ChemSpider ID9932602

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(4R,4aR,5aS,12aR)-4-(Dimethylamino)-7-[4-(dimethylamino)phenyl]-10,12a-dihydroxy-9-nitro-1,3,11,12-tetraoxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4R,4aR,5aS,12aR)-4-(Dimethylamino)-7-[4-(dimethylamino)phenyl]-10,12a-dihydroxy-9-nitro-1,3,11,12-tetraoxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4R,4aR,5aS,12aR)-4-(Diméthylamino)-7-[4-(diméthylamino)phényl]-10,12a-dihydroxy-9-nitro-1,3,11,12-tétraoxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodécahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
2-Naphthacenecarboxamide, 4-(dimethylamino)-7-[4-(dimethylamino)phenyl]-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydro-10,12a-dihydroxy-9-nitro-1,3,11,12-tetraoxo-, (4R,4aR,5aS,12aR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 890.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.7±3.0 kJ/mol
Flash Point: 492.6±34.3 °C
Index of Refraction: 1.695
Molar Refractivity: 145.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 6.84
ACD/KOC (pH 5.5): 51.19
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.02
Polar Surface Area: 204 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 85.7±5.0 dyne/cm
Molar Volume: 377.4±5.0 cm3

Click to predict properties on the Chemicalize site


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