ChemSpider 2D Image | (2R)-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]-2-piperidinecarboxamide | C27H31FN4O8

(2R)-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]-2-piperidinecarboxamide

  • Molecular FormulaC27H31FN4O8
  • Average mass558.555 Da
  • Monoisotopic mass558.212585 Da
  • ChemSpider ID28514824

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R)-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]-2-piperidincarboxamid [German] [ACD/IUPAC Name]
(2R)-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]-2-piperidinecarboxamide [ACD/IUPAC Name]
(2R)-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]-2-pipéridinecarboxamide [French] [ACD/IUPAC Name]
2-Piperidinecarboxamide, 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]-, (2R)- [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: 889.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.4±3.0 kJ/mol
Flash Point: 491.5±34.3 °C
Index of Refraction: 1.705
Molar Refractivity: 136.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -0.38
ACD/LogD (pH 5.5): -3.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 89.8±5.0 dyne/cm
Molar Volume: 350.5±5.0 cm3

Click to predict properties on the Chemicalize site


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