ChemSpider 2D Image | Omadacycline | C29H40N4O7

Omadacycline

  • Molecular FormulaC29H40N4O7
  • Average mass556.651 Da
  • Monoisotopic mass556.289673 Da
  • ChemSpider ID65322556

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4S,4aS,5aR,12aR)-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-tetracencarboximidsäure [German] [ACD/IUPAC Name]
(4S,4aS,5aR,12aR)-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-tetracenecarboximidic acid [ACD/IUPAC Name]
2-Naphthacenecarboximidic acid, 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-, (4S,4aS,5aR,12aR)- [ACD/Index Name]
Acide (4S,4aS,5aR,12aR)-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-tétracènecarboximidique [French] [ACD/IUPAC Name]
Omadacycline [USAN] [Wiki]
389139-89-3 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 733.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 397.2±35.7 °C
Index of Refraction: 1.657
Molar Refractivity: 144.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.47
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 393.3±7.0 cm3

Click to predict properties on the Chemicalize site


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