ChemSpider 2D Image | N-[(5R,6S,7S,9Z,10aS)-9-[Amino(hydroxy)methylene]-7-(dimethylamino)-1,6,10a,12-tetrahydroxy-5-methyl-8,10,11-trioxo-5,5a,6,6a,7,8,9,10,10a,11-decahydro-2-tetracenyl]-L-tyrosinamide | C31H34N4O10

N-[(5R,6S,7S,9Z,10aS)-9-[Amino(hydroxy)methylene]-7-(dimethylamino)-1,6,10a,12-tetrahydroxy-5-methyl-8,10,11-trioxo-5,5a,6,6a,7,8,9,10,10a,11-decahydro-2-tetracenyl]-L-tyrosinamide

  • Molecular FormulaC31H34N4O10
  • Average mass622.622 Da
  • Monoisotopic mass622.227478 Da
  • ChemSpider ID8184648

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

Benzenepropanamide, α-amino-N-[(5R,6S,7S,9Z,10aS)-9-(aminohydroxymethylene)-7-(dimethylamino)-5,5a,6,6a,7,8,9,10,10a,11-decahydro-1,6,10a,12-tetrahydroxy-5-methyl-8,10,11-trioxo-2-naphthacenyl]-4- hydroxy-, (αS)- [ACD/Index Name]
N-[(5R,6S,7S,9Z,10aS)-9-[Amino(hydroxy)methylen]-7-(dimethylamino)-1,6,10a,12-tetrahydroxy-5-methyl-8,10,11-trioxo-5,5a,6,6a,7,8,9,10,10a,11-decahydro-2-tetracenyl]-L-tyrosinamid [German] [ACD/IUPAC Name]
N-[(5R,6S,7S,9Z,10aS)-9-[Amino(hydroxy)methylene]-7-(dimethylamino)-1,6,10a,12-tetrahydroxy-5-methyl-8,10,11-trioxo-5,5a,6,6a,7,8,9,10,10a,11-decahydro-2-tetracenyl]-L-tyrosinamide [ACD/IUPAC Name]
N-[(5R,6S,7S,9Z,10aS)-9-[Amino(hydroxy)méthylène]-7-(diméthylamino)-1,6,10a,12-tétrahydroxy-5-méthyl-8,10,11-trioxo-5,5a,6,6a,7,8,9,10,10a,11-décahydro-2-tétracényl]-L-tyrosinamide [French] [ACD/IUPAC 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: 902.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.4±3.0 kJ/mol
Flash Point: 499.4±34.3 °C
Index of Refraction: 1.756
Molar Refractivity: 156.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 11
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 0.47
ACD/LogD (pH 5.5): -2.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 257 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 105.5±5.0 dyne/cm
Molar Volume: 382.0±5.0 cm3

Click to predict properties on the Chemicalize site


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