Found 11 results

Search term: MF = 'C_{43}H_{57}N_{5}O_{9}'
ChemSpider 2D Image | 11-{[(2R,3R,4S,5R,6R)-2,3,4,5,6,7-Hexahydroxyheptanoyl]amino}-N-{2-[(1S,2R,3S)-3-hydroxy-3-phenyl-2-(2-pyridinyl)-1-(2-pyridinylamino)propyl]phenyl}undecanamide | C43H57N5O9

11-{[(2R,3R,4S,5R,6R)-2,3,4,5,6,7-Hexahydroxyheptanoyl]amino}-N-{2-[(1S,2R,3S)-3-hydroxy-3-phenyl-2-(2-pyridinyl)-1-(2-pyridinylamino)propyl]phenyl}undecanamide

  • Molecular FormulaC43H57N5O9
  • Average mass787.941 Da
  • Monoisotopic mass787.415649 Da
  • ChemSpider ID8137996

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

11-{[(2R,3R,4S,5R,6R)-2,3,4,5,6,7-Hexahydroxyheptanoyl]amino}-N-{2-[(1S,2R,3S)-3-hydroxy-3-phenyl-2-(2-pyridinyl)-1-(2-pyridinylamino)propyl]phenyl}undecanamid [German] [ACD/IUPAC Name]
11-{[(2R,3R,4S,5R,6R)-2,3,4,5,6,7-Hexahydroxyheptanoyl]amino}-N-{2-[(1S,2R,3S)-3-hydroxy-3-phenyl-2-(2-pyridinyl)-1-(2-pyridinylamino)propyl]phenyl}undecanamide [ACD/IUPAC Name]
11-{[(2R,3R,4S,5R,6R)-2,3,4,5,6,7-Hexahydroxyheptanoyl]amino}-N-{2-[(1S,2R,3S)-3-hydroxy-3-phényl-2-(2-pyridinyl)-1-(2-pyridinylamino)propyl]phényl}undécanamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1102.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 169.8±3.0 kJ/mol
Flash Point: 620.7±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 217.3±0.3 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 3.56
ACD/KOC (pH 5.5): 64.83
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.52
ACD/KOC (pH 7.4): 173.50
Polar Surface Area: 238 Å2
Polarizability: 86.2±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 600.3±3.0 cm3

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