ChemSpider 2D Image | 4-Methylphenyl {[(5aR,6aS,7S,10aS)-9-carbamoyl-4,7-bis(dimethylamino)-1,10a-dihydroxy-8,10,11,12-tetraoxo-5,5a,6,6a,7,8,9,10,10a,11,11a,12-dodecahydro-2-tetracenyl]methyl}carbamate | C32H36N4O9

4-Methylphenyl {[(5aR,6aS,7S,10aS)-9-carbamoyl-4,7-bis(dimethylamino)-1,10a-dihydroxy-8,10,11,12-tetraoxo-5,5a,6,6a,7,8,9,10,10a,11,11a,12-dodecahydro-2-tetracenyl]methyl}carbamate

  • Molecular FormulaC32H36N4O9
  • Average mass620.650 Da
  • Monoisotopic mass620.248230 Da
  • ChemSpider ID9344617
  • defined stereocentres - 4 of 6 defined stereocentres


More details:






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

{[(5aR,6aS,7S,10aS)-9-Carbamoyl-4,7-bis(diméthylamino)-1,10a-dihydroxy-8,10,11,12-tétraoxo-5,5a,6,6a,7,8,9,10,10a,11,11a,12-dodécahydro-2-tétracényl]méthyl}carbamate de 4-méthylphényle [French] [ACD/IUPAC Name]
4-Methylphenyl {[(5aR,6aS,7S,10aS)-9-carbamoyl-4,7-bis(dimethylamino)-1,10a-dihydroxy-8,10,11,12-tetraoxo-5,5a,6,6a,7,8,9,10,10a,11,11a,12-dodecahydro-2-tetracenyl]methyl}carbamate [ACD/IUPAC Name]
4-Methylphenyl-{[(5aR,6aS,7S,10aS)-9-carbamoyl-4,7-bis(dimethylamino)-1,10a-dihydroxy-8,10,11,12-tetraoxo-5,5a,6,6a,7,8,9,10,10a,11,11a,12-dodecahydro-2-tetracenyl]methyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[[(5aR,6aS,7S,10aS)-9-(aminocarbonyl)-4,7-bis(dimethylamino)-5,5a,6,6a,7,8,9,10,10a,11,11a,12-dodecahydro-1,10a-dihydroxy-8,10,11,12-tetraoxo-2-naphthacenyl]methyl]-, 4-methylphenyl e ster [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 926.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.2±3.0 kJ/mol
Flash Point: 514.1±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 158.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 4.22
ACD/KOC (pH 5.5): 40.83
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.06
Polar Surface Area: 197 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 78.6±5.0 dyne/cm
Molar Volume: 424.4±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement