ChemSpider 2D Image | (4R,4aS,5S,5aR,6R,12aS)-4-(Dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo(4,4a,5,5a-~3~H_4_)-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboximidic acid | C22H20T4N2O9

(4R,4aS,5S,5aR,6R,12aS)-4-(Dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo(4,4a,5,5a-3H4)-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboximidic acid

  • Molecular FormulaC22H20T4N2O9
  • Average mass468.466 Da
  • Monoisotopic mass468.181091 Da
  • ChemSpider ID57268719

  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4R,4aS,5S,5aR,6R,12aS)-4-(Dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo(4,4a,5,5a-3H4)-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracencarboximidsäure [German] [ACD/IUPAC Name]
(4R,4aS,5S,5aR,6R,12aS)-4-(Dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo(4,4a,5,5a-3H4)-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboximidic acid [ACD/IUPAC Name]
2-Naphthacene-4,5-t2-carboximidic acid, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-4a,5a-t2-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4R,4aS,5S,5aR,6R,12aS)- [ACD/Index Name]
Acide (4R,4aS,5S,5aR,6R,12aS)-4-(diméthylamino)-3,5,6,10,12,12a-hexahydroxy-6-méthyl-1,11-dioxo(4,4a,5,5a-3H4)-1,4,4a,5,5a,6,11,12a-octahydro-2-tétracènecarboximidique [French] [ACD/IUPAC Name]
OXYTETRACYCLINE, [3H(G)]

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

Density:
Boiling Point: 785.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 428.7±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -0.65
ACD/LogD (pH 5.5): -3.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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