ChemSpider 2D Image | (4S,4aS,5aS,6S,12aR)-7-Chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-8-methoxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboxamide | C23H25ClN2O9

(4S,4aS,5aS,6S,12aR)-7-Chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-8-methoxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboxamide

  • Molecular FormulaC23H25ClN2O9
  • Average mass508.906 Da
  • Monoisotopic mass508.124847 Da
  • ChemSpider ID58190420

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4S,4aS,5aS,6S,12aR)-7-Chlor-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-8-methoxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4S,4aS,5aS,6S,12aR)-7-Chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-8-methoxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4S,4aS,5aS,6S,12aR)-7-Chloro-4-(diméthylamino)-1,6,10,11,12a-pentahydroxy-8-méthoxy-6-méthyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-3,4,4a,5,5a,6,12,12a-octahydro-1,6,10,11,12a-pentahydroxy-8-methoxy-6-methyl-3,12-dioxo-, (4S,4aS,5aS,6S,12aR)- [ACD/Index Name]
110298-63-0 [RN]
2-Naphthacenecarboxamide,7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-8-methoxy-6-methyl-1,11-dioxo-,(4S,4aS,5aS,6S,12aS)-
8-METHOXYCHLORTETRACYCLINE

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

Density: 1.7±0.1 g/cm3
Boiling Point: 775.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 422.9±32.9 °C
Index of Refraction: 1.726
Molar Refractivity: 120.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 0.90
ACD/LogD (pH 5.5): -1.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 97.8±5.0 dyne/cm
Molar Volume: 302.7±5.0 cm3

Click to predict properties on the Chemicalize site


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