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

N2-[({[(4S,4aS,6S,12aS)-4-(Dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenyl]carbonyl}amino)methyl]-L-lysine

  • Molecular FormulaC29H38N4O10
  • Average mass602.633 Da
  • Monoisotopic mass602.258789 Da
  • ChemSpider ID16736147

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

[4S-(4a,4aa,5aa,6b,12aa)]- N6-[[[[4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenyl]carbonyl]amino]methyl]-L-lysine
L-Lysine, N2-[[[[(4S,4aS,6S,12aS)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenyl]carbonyl]amino]methyl]- [ACD/Index Name]
N2-[({[(4S,4aS,6S,12aS)-4-(Dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenyl]carbonyl}amino)methyl]-L-lysin [German] [ACD/IUPAC Name]
N2-[({[(4S,4aS,6S,12aS)-4-(Dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenyl]carbonyl}amino)methyl]-L-lysine [ACD/IUPAC Name]
N2-[({[(4S,4aS,6S,12aS)-4-(Diméthylamino)-3,6,10,12,12a-pentahydroxy-6-méthyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tétracényl]carbonyl}amino)méthyl]-L-lysine [French] [ACD/IUPAC Name]
N2-[({[(4S,4aS,6S,12aS)-4-(Dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracen-2-yl]carbonyl}amino)methyl]-L-lysine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 925.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.0±3.0 kJ/mol
Flash Point: 513.6±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: -1.16
ACD/LogD (pH 5.5): -5.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.04
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

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