ChemSpider 2D Image | (4S,4aR,5R,5aS,11aS,12aR)-11a-Chloro-4-(dimethylamino)-3,5,10,12a-tetrahydroxy-6-methylene-1,11,12-trioxo-1,4,4a,5,5a,6,11,11a,12,12a-decahydro-2-tetracenecarboxamide | C22H21ClN2O8

(4S,4aR,5R,5aS,11aS,12aR)-11a-Chloro-4-(dimethylamino)-3,5,10,12a-tetrahydroxy-6-methylene-1,11,12-trioxo-1,4,4a,5,5a,6,11,11a,12,12a-decahydro-2-tetracenecarboxamide

  • Molecular FormulaC22H21ClN2O8
  • Average mass476.864 Da
  • Monoisotopic mass476.098633 Da
  • ChemSpider ID32801641

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4S,4aR,5R,5aS,11aS,12aR)-11a-Chlor-4-(dimethylamino)-3,5,10,12a-tetrahydroxy-6-methylen-1,11,12-trioxo-1,4,4a,5,5a,6,11,11a,12,12a-decahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4S,4aR,5R,5aS,11aS,12aR)-11a-Chloro-4-(dimethylamino)-3,5,10,12a-tetrahydroxy-6-methylene-1,11,12-trioxo-1,4,4a,5,5a,6,11,11a,12,12a-decahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4S,4aR,5R,5aS,11aS,12aR)-11a-Chloro-4-(diméthylamino)-3,5,10,12a-tétrahydroxy-6-méthylène-1,11,12-trioxo-1,4,4a,5,5a,6,11,11a,12,12a-décahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
2-Naphthacenecarboxamide, 11a-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,11a,12,12a-decahydro-3,5,10,12a-tetrahydroxy-6-methylene-1,11,12-trioxo-, (4S,4aR,5R,5aS,11aS,12aR)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 828.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.2±3.0 kJ/mol
Flash Point: 454.7±34.3 °C
Index of Refraction: 1.724
Molar Refractivity: 112.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 1.63
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.00
ACD/LogD (pH 7.4): -2.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 95.1±5.0 dyne/cm
Molar Volume: 283.8±5.0 cm3

Click to predict properties on the Chemicalize site


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