ChemSpider 2D Image | (4S,4aR,5S,5aR,12aR)-4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylene-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboxamide | C22H22N2O8

(4S,4aR,5S,5aR,12aR)-4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylene-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboxamide

  • Molecular FormulaC22H22N2O8
  • Average mass442.419 Da
  • Monoisotopic mass442.137604 Da
  • ChemSpider ID23205118

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4S,4aR,5S,5aR,12aR)-4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylen-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4S,4aR,5S,5aR,12aR)-4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylene-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4S,4aR,5S,5aR,12aR)-4-(Diméthylamino)-1,5,10,11,12a-pentahydroxy-6-méthylène-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
(4S,4aR,5S,5aR,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide
2-Naphthacenecarboxamide, 4-(dimethylamino)-3,4,4a,5,5a,6,12,12a-octahydro-1,5,10,11,12a-pentahydroxy-6-methylene-3,12-dioxo-, (4S,4aR,5S,5aR,12aR)- [ACD/Index Name]
4-Dimethylamino-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide
914-00-1 [RN]
Metacycline [INN]
Methacycline
MFCD00800598 [MDL number]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 770.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 420.0±32.9 °C
Index of Refraction: 1.753
Molar Refractivity: 108.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 0.77
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 101.5±5.0 dyne/cm
Molar Volume: 265.6±5.0 cm3

Click to predict properties on the Chemicalize site


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