ChemSpider 2D Image | N-[(5aR,6aS,7S,10aS)-9-Carbamoyl-7-(dimethylamino)-4-fluoro-1,8,10a,11-tetrahydroxy-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydro-2-tetracenyl]-1-methyl-D-prolinamide | C27H31FN4O8

N-[(5aR,6aS,7S,10aS)-9-Carbamoyl-7-(dimethylamino)-4-fluoro-1,8,10a,11-tetrahydroxy-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydro-2-tetracenyl]-1-methyl-D-prolinamide

  • Molecular FormulaC27H31FN4O8
  • Average mass558.555 Da
  • Monoisotopic mass558.212585 Da
  • ChemSpider ID28511641

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Pyrrolidinecarboxamide, N-[(5aR,6aS,7S,10aS)-9-(aminocarbonyl)-7-(dimethylamino)-4-fluoro-5,5a,6,6a,7,10,10a,12-octahydro-1,8,10a,11-tetrahydroxy-10,12-dioxo-2-naphthacenyl]-1-methyl-, (2R)- [ACD/Index Name]
N-[(5aR,6aS,7S,10aS)-9-Carbamoyl-7-(dimethylamino)-4-fluor-1,8,10a,11-tetrahydroxy-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydro-2-tetracenyl]-1-methyl-D-prolinamid [German] [ACD/IUPAC Name]
N-[(5aR,6aS,7S,10aS)-9-Carbamoyl-7-(dimethylamino)-4-fluoro-1,8,10a,11-tetrahydroxy-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydro-2-tetracenyl]-1-methyl-D-prolinamide [ACD/IUPAC Name]
N-[(5aR,6aS,7S,10aS)-9-Carbamoyl-7-(diméthylamino)-4-fluoro-1,8,10a,11-tétrahydroxy-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydro-2-tétracényl]-1-méthyl-D-prolinamide [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: 865.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±3.0 kJ/mol
Flash Point: 477.3±34.3 °C
Index of Refraction: 1.709
Molar Refractivity: 136.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -1.19
ACD/LogD (pH 5.5): -3.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 90.4±5.0 dyne/cm
Molar Volume: 349.3±5.0 cm3

Click to predict properties on the Chemicalize site


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