ChemSpider 2D Image | N-Heptyl-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | C16H33N2O7P

N-Heptyl-N3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-β-alaninamide

  • Molecular FormulaC16H33N2O7P
  • Average mass396.416 Da
  • Monoisotopic mass396.202545 Da
  • ChemSpider ID35034760

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Butanamide, N-[3-(heptylamino)-3-oxopropyl]-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)-, (2R)- [ACD/Index Name]
N-Heptyl-N3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-β-alaninamid [German] [ACD/IUPAC Name]
N-Heptyl-N3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-β-alaninamide [ACD/IUPAC Name]
N-Heptyl-N3-[(2R)-2-hydroxy-3,3-diméthyl-4-(phosphonooxy)butanoyl]-β-alaninamide [French] [ACD/IUPAC Name]
27Q

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.501
Molar Refractivity: 96.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 0.61
ACD/LogD (pH 5.5): -2.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 328.0±3.0 cm3

Click to predict properties on the Chemicalize site


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