Found 1 result

Search term: 78439933 (Found by CSID)
ChemSpider 2D Image | (4S,4aR,5S,5aR,6S,12aR)-7-Chloro-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboxamide | C22H23ClN2O9

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

  • Molecular FormulaC22H23ClN2O9
  • Average mass494.879 Da
  • Monoisotopic mass494.109222 Da
  • ChemSpider ID78439933

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4S,4aR,5S,5aR,6S,12aR)-7-Chlor-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4S,4aR,5S,5aR,6S,12aR)-7-Chloro-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4S,4aR,5S,5aR,6S,12aR)-7-Chloro-4-(diméthylamino)-1,5,6,10,11,12a-hexahydroxy-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-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-, (4S,4aR,5S,5aR,6S,12aR)- [ACD/Index Name]
5-Hydroxy-7-chlortetracycline

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

Density: 1.8±0.1 g/cm3
Boiling Point: 811.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.7±3.0 kJ/mol
Flash Point: 444.7±34.3 °C
Index of Refraction: 1.766
Molar Refractivity: 115.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 1.18
ACD/LogD (pH 5.5): -1.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.29
ACD/LogD (pH 7.4): -2.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 112.4±5.0 dyne/cm
Molar Volume: 278.9±5.0 cm3

Click to predict properties on the Chemicalize site


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