ChemSpider 2D Image | 3-{[(R)-1-Amino-3-(Pyridin-3-Yl)propyl](Hydroxy)phosphoryl}-(S)-2-Benzylpropanoic Acid | C18H23N2O4P

3-{[(R)-1-Amino-3-(Pyridin-3-Yl)propyl](Hydroxy)phosphoryl}-(S)-2-Benzylpropanoic Acid

  • Molecular FormulaC18H23N2O4P
  • Average mass362.360 Da
  • Monoisotopic mass362.139557 Da
  • ChemSpider ID35035072

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-3-[(S)-[(1R)-1-Amino-3-(3-pyridinyl)propyl](hydroxy)phosphoryl]-2-benzylpropanoic acid [ACD/IUPAC Name]
(2S)-3-[(S)-[(1R)-1-Amino-3-(3-pyridinyl)propyl](hydroxy)phosphoryl]-2-benzylpropansäure [German] [ACD/IUPAC Name]
3-{[(R)-1-Amino-3-(Pyridin-3-Yl)propyl](Hydroxy)phosphoryl}-(S)-2-Benzylpropanoic Acid
Acide (2S)-3-[(S)-[(1R)-1-amino-3-(3-pyridinyl)propyl](hydroxy)phosphoryl]-2-benzylpropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[(S)-[(1S,1R)-1-amino-3-(3-pyridinyl)propyl]hydroxyphosphinyl]methyl]-, (αS)- [ACD/Index Name]

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

379 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 672.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 360.7±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 95.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 279.4±3.0 cm3

Click to predict properties on the Chemicalize site


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