ChemSpider 2D Image | N~6~-[({[(4S,4aS,5aS,6S,12aR)-4-(Dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenyl]carbonyl}amino)methyl]lysine | C29H38N4O10

N6-[({[(4S,4aS,5aS,6S,12aR)-4-(Dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenyl]carbonyl}amino)methyl]lysine

  • Molecular FormulaC29H38N4O10
  • Average mass602.633 Da
  • Monoisotopic mass602.258789 Da
  • ChemSpider ID35466921

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

Lysine, N6-[[[[(4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-3,4,4a,5,5a,6,12,12a-octahydro-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-2-naphthacenyl]carbonyl]amino]methyl]- [ACD/Index Name]
N6-[({[(4S,4aS,5aS,6S,12aR)-4-(Dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenyl]carbonyl}amino)methyl]lysin [German] [ACD/IUPAC Name]
N6-[({[(4S,4aS,5aS,6S,12aR)-4-(Dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenyl]carbonyl}amino)methyl]lysine [ACD/IUPAC Name]
N6-[({[(4S,4aS,5aS,6S,12aR)-4-(Diméthylamino)-1,6,10,11,12a-pentahydroxy-6-méthyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tétracényl]carbonyl}amino)méthyl]lysine [French] [ACD/IUPAC Name]
992-21-2 [RN]
lymecycline [INN] [Wiki]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 908.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.3±3.0 kJ/mol
Flash Point: 503.0±34.3 °C
Index of Refraction: 1.693
Molar Refractivity: 150.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -3.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 243 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 91.6±5.0 dyne/cm
Molar Volume: 392.2±5.0 cm3

Click to predict properties on the Chemicalize site


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