ChemSpider 2D Image | N-{3-[(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]-2-propyn-1-yl}methanesulfonamide | C27H32N4O9S

N-{3-[(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]-2-propyn-1-yl}methanesulfonamide

  • Molecular FormulaC27H32N4O9S
  • Average mass588.629 Da
  • Monoisotopic mass588.189026 Da
  • ChemSpider ID8320602

  • Double-bond stereo - Double-bond stereo

More details:

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

Methanesulfonamide, N-[3-[(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]-2-propyn-1-yl]- [ACD/Index Name]
N-{3-[(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]-2-propin-1-yl}methansulfonamid [German] [ACD/IUPAC Name]
N-{3-[(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]-2-propyn-1-yl}methanesulfonamide [ACD/IUPAC Name]
N-{3-[(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]-2-propyn-1-yl}méthanesulfonamide [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: 789.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 431.2±35.7 °C
Index of Refraction: 1.718
Molar Refractivity: 145.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 0.68
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.71
ACD/LogD (pH 7.4): -2.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 219 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 95.8±5.0 dyne/cm
Molar Volume: 367.9±5.0 cm3

Click to predict properties on the Chemicalize site


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