ChemSpider 2D Image | 6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-HEXANOIC ACID | C25H33NO3

6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-HEXANOIC ACID

  • Molecular FormulaC25H33NO3
  • Average mass395.534 Da
  • Monoisotopic mass395.246033 Da
  • ChemSpider ID26330017

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-6-Phenyl-4-[(7-phenylheptanoyl)amino]hexanoic acid [ACD/IUPAC Name]
(4S)-6-Phenyl-4-[(7-phenylheptanoyl)amino]hexansäure [German] [ACD/IUPAC Name]
6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-HEXANOIC ACID
Acide (4S)-6-phényl-4-[(7-phénylheptanoyl)amino]hexanoïque [French] [ACD/IUPAC Name]
Benzenehexanoic acid, γ-[(1-oxo-7-phenylheptyl)amino]-, (γS)- [ACD/Index Name]
(4S)-6-phenyl-4-(7-phenylheptanamido)hexanoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 630.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 335.4±31.5 °C
Index of Refraction: 1.550
Molar Refractivity: 116.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 221.77
ACD/KOC (pH 5.5): 871.10
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 3.48
ACD/KOC (pH 7.4): 13.69
Polar Surface Area: 66 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 365.5±3.0 cm3

Click to predict properties on the Chemicalize site


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