ChemSpider 2D Image | N-[(2S)-1,3-Dihydroxy-2-undecanyl]-4-heptylbenzamide | C25H43NO3

N-[(2S)-1,3-Dihydroxy-2-undecanyl]-4-heptylbenzamide

  • Molecular FormulaC25H43NO3
  • Average mass405.614 Da
  • Monoisotopic mass405.324280 Da
  • ChemSpider ID23281788

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Benzamide, 4-heptyl-N-[(1S)-2-hydroxy-1-(hydroxymethyl)decyl]- [ACD/Index Name]
N-[(2S)-1,3-Dihydroxy-2-undecanyl]-4-heptylbenzamid [German] [ACD/IUPAC Name]
N-[(2S)-1,3-Dihydroxy-2-undecanyl]-4-heptylbenzamide [ACD/IUPAC Name]
N-[(2S)-1,3-Dihydroxy-2-undécanyl]-4-heptylbenzamide [French] [ACD/IUPAC Name]
N-[(2S)-1,3-dihydroxyundecan-2-yl]-4-heptylbenzamide
920277-58-3 [RN]
N-((2S)-1,3-dihydroxyundecan-2-yl)-4-heptylbenzamide

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

Density: 1.0±0.1 g/cm3
Boiling Point: 593.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 312.5±30.1 °C
Index of Refraction: 1.512
Molar Refractivity: 121.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 8.03
ACD/LogD (pH 5.5): 7.69
ACD/BCF (pH 5.5): 411412.84
ACD/KOC (pH 5.5): 363306.09
ACD/LogD (pH 7.4): 7.69
ACD/BCF (pH 7.4): 411412.38
ACD/KOC (pH 7.4): 363305.72
Polar Surface Area: 70 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 406.0±3.0 cm3

Click to predict properties on the Chemicalize site


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