ChemSpider 2D Image | 4-Methoxyphenyl [(7S,9Z,10aS)-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]carbamate | C31H34N4O10

4-Methoxyphenyl [(7S,9Z,10aS)-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]carbamate

  • Molecular FormulaC31H34N4O10
  • Average mass622.622 Da
  • Monoisotopic mass622.227478 Da
  • ChemSpider ID8364813

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

[(7S,9Z,10aS)-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]carbamate de 4-méthoxyphényle [French] [ACD/IUPAC Name]
4-Methoxyphenyl [(7S,9Z,10aS)-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]carbamate [ACD/IUPAC Name]
4-Methoxyphenyl-[(7S,9Z,10aS)-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]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(7S,9Z,10aS)-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]-, 4-methoxyphenyl ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 781.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.2±3.0 kJ/mol
Flash Point: 426.2±32.9 °C
Index of Refraction: 1.716
Molar Refractivity: 157.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.77
ACD/LogD (pH 7.4): -0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 90.0±5.0 dyne/cm
Molar Volume: 400.0±5.0 cm3

Click to predict properties on the Chemicalize site


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