ChemSpider 2D Image | [(1R)-1-{[(2S)-2-(2,5-Dimethyl-1H-pyrrol-1-yl)propanoyl]amino}ethyl]phosphonic acid | C11H19N2O4P

[(1R)-1-{[(2S)-2-(2,5-Dimethyl-1H-pyrrol-1-yl)propanoyl]amino}ethyl]phosphonic acid

  • Molecular FormulaC11H19N2O4P
  • Average mass274.253 Da
  • Monoisotopic mass274.108246 Da
  • ChemSpider ID85508866

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(1R)-1-{[(2S)-2-(2,5-Dimethyl-1H-pyrrol-1-yl)propanoyl]amino}ethyl]phosphonic acid [ACD/IUPAC Name]
[(1R)-1-{[(2S)-2-(2,5-Dimethyl-1H-pyrrol-1-yl)propanoyl]amino}ethyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [(1R)-1-{[(2S)-2-(2,5-diméthyl-1H-pyrrol-1-yl)propanoyl]amino}éthyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [(1R)-1-[[(2S)-2-(2,5-dimethyl-1H-pyrrol-1-yl)-1-oxopropyl]amino]ethyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.577
Molar Refractivity: 67.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -3.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 202.8±7.0 cm3

Click to predict properties on the Chemicalize site


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