ChemSpider 2D Image | (4S,4aR,5S,5aR,6S,12aR)-4-(Dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboximidic acid | C22H24N2O9

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

  • Molecular FormulaC22H24N2O9
  • Average mass460.434 Da
  • Monoisotopic mass460.148193 Da
  • ChemSpider ID57267507

  • 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)-4-(Dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracencarboximidsäure [German] [ACD/IUPAC Name]
(4S,4aR,5S,5aR,6S,12aR)-4-(Dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboximidic acid [ACD/IUPAC Name]
2-Naphthacenecarboximidic acid, 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]
Acide (4S,4aR,5S,5aR,6S,12aR)-4-(diméthylamino)-1,5,6,10,11,12a-hexahydroxy-6-méthyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tétracènecarboximidique [French] [ACD/IUPAC Name]
79-57-2 [RN]
E'oxytetracycline'
MFCD00003700 [MDL number]
Oxytetracycline [INN] [Wiki]
Oxytetracycline (Terramycin)
OXYTETRACYCLINE-D6
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 761.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 414.0±35.7 °C
Index of Refraction: 1.754
Molar Refractivity: 107.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 1.06
ACD/LogD (pH 5.5): -2.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 78.3±7.0 dyne/cm
Molar Volume: 263.6±7.0 cm3

Click to predict properties on the Chemicalize site


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