ChemSpider 2D Image | 2-{[(2R)-2-Acetamido-3-hydroxy-3-tetradecylheptadecyl]oxy}benzoic acid | C40H71NO5

2-{[(2R)-2-Acetamido-3-hydroxy-3-tetradecylheptadecyl]oxy}benzoic acid

  • Molecular FormulaC40H71NO5
  • Average mass645.995 Da
  • Monoisotopic mass645.533203 Da
  • ChemSpider ID29317412

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{[(2R)-2-Acetamido-3-hydroxy-3-tetradecylheptadecyl]oxy}benzoesäure [German] [ACD/IUPAC Name]
2-{[(2R)-2-Acetamido-3-hydroxy-3-tetradecylheptadecyl]oxy}benzoic acid [ACD/IUPAC Name]
Acide 2-{[(2R)-2-acétamido-3-hydroxy-3-tétradécylheptadécyl]oxy}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(2R)-2-(acetylamino)-3-hydroxy-3-tetradecylheptadecyl]oxy]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 763.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 415.4±31.5 °C
Index of Refraction: 1.499
Molar Refractivity: 193.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 14.73
ACD/LogD (pH 5.5): 12.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.22
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1183118.13
Polar Surface Area: 96 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 658.0±3.0 cm3

Click to predict properties on the Chemicalize site


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