ChemSpider 2D Image | CAY10590 | C21H33NO3

CAY10590

  • Molecular FormulaC21H33NO3
  • Average mass347.492 Da
  • Monoisotopic mass347.246033 Da
  • ChemSpider ID23332508

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-4-[(7-Phenylheptanoyl)amino]octanoic acid [ACD/IUPAC Name]
(4R)-4-[(7-Phenylheptanoyl)amino]octansäure [German] [ACD/IUPAC Name]
1101136-50-8 [RN]
Acide (4R)-4-[(7-phénylheptanoyl)amino]octanoïque [French] [ACD/IUPAC Name]
CAY10590
Octanoic acid, 4-[(1-oxo-7-phenylheptyl)amino]-, (4R)- [ACD/Index Name]
(4R)-4-(7-PHENYLHEPTANAMIDO)OCTANOIC ACID
(R)-4-(7-Phenylheptanamido)octanoic acid
[1101136-50-8] [RN]
4-((1-OXO-7-PHENYLHEPTYL)AMINO)-(4R)-OCTANOIC ACID
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 567.8±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 297.2±28.2 °C
Index of Refraction: 1.511
Molar Refractivity: 101.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 176.28
ACD/KOC (pH 5.5): 740.34
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 2.77
ACD/KOC (pH 7.4): 11.63
Polar Surface Area: 66 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 337.8±3.0 cm3

Click to predict properties on the Chemicalize site


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