ChemSpider 2D Image | 4-Methylphenyl {[(9Z)-9-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5,5a,6,6a,7,8,9,10,10a,11-decahydro-2-tetracenyl]methyl}carbamate | C32H36N4O9

4-Methylphenyl {[(9Z)-9-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5,5a,6,6a,7,8,9,10,10a,11-decahydro-2-tetracenyl]methyl}carbamate

  • Molecular FormulaC32H36N4O9
  • Average mass620.650 Da
  • Monoisotopic mass620.248230 Da
  • ChemSpider ID8386732
  • Double-bond stereo - Double-bond stereo


More details:






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

{[(9Z)-9-[Amino(hydroxy)méthylène]-4,7-bis(diméthylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5,5a,6,6a,7,8,9,10,10a,11-décahydro-2-tétracényl]méthyl}carbamate de 4-méthylphényle [French] [ACD/IUPAC Name]
4-Methylphenyl {[(9Z)-9-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5,5a,6,6a,7,8,9,10,10a,11-decahydro-2-tetracenyl]methyl}carbamate [ACD/IUPAC Name]
4-Methylphenyl-{[(9Z)-9-[amino(hydroxy)methylen]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5,5a,6,6a,7,8,9,10,10a,11-decahydro-2-tetracenyl]methyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[[(9Z)-9-(aminohydroxymethylene)-4,7-bis(dimethylamino)-5,5a,6,6a,7,8,9,10,10a,11-decahydro-1,10a,12-trihydroxy-8,10,11-trioxo-2-naphthacenyl]methyl]-, 4-methylphenyl ester [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: 805.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.8±3.0 kJ/mol
Flash Point: 440.8±34.3 °C
Index of Refraction: 1.709
Molar Refractivity: 160.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.03
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 86.7±5.0 dyne/cm
Molar Volume: 410.1±5.0 cm3

Click to predict properties on the Chemicalize site






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