ChemSpider 2D Image | 4,7-Bis(dimethylamino)-9-{[(2,2-dimethylpropyl)amino]methyl}-1,10,11,12a-tetrahydroxy-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboxamide | C29H40N4O7

4,7-Bis(dimethylamino)-9-{[(2,2-dimethylpropyl)amino]methyl}-1,10,11,12a-tetrahydroxy-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboxamide

  • Molecular FormulaC29H40N4O7
  • Average mass556.651 Da
  • Monoisotopic mass556.289673 Da
  • ChemSpider ID30922841

More details:






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

2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-9-[[(2,2-dimethylpropyl)amino]methyl]-3,4,4a,5,5a,6,12,12a-octahydro-1,10,11,12a-tetrahydroxy-3,12-dioxo- [ACD/Index Name]
4,7-Bis(dimethylamino)-9-{[(2,2-dimethylpropyl)amino]methyl}-1,10,11,12a-tetrahydroxy-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
4,7-Bis(dimethylamino)-9-{[(2,2-dimethylpropyl)amino]methyl}-1,10,11,12a-tetrahydroxy-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
4,7-Bis(diméthylamino)-9-{[(2,2-diméthylpropyl)amino]méthyl}-1,10,11,12a-tétrahydroxy-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
389139-89-3 [RN]
Amadacycline
Omadacycline;PTK 0796;PTK-0796;PTK0796

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 769.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 419.3±32.9 °C
Index of Refraction: 1.662
Molar Refractivity: 147.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.64
ACD/LogD (pH 5.5): -1.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 398.4±5.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form