ChemSpider 2D Image | (2S)-2-{[(2R)-3-{[(1S)-1-Ammonioethyl](hydroxy)phosphoryl}-2-(4-biphenylylmethyl)propanoyl]amino}propanoate | C21H27N2O5P

(2S)-2-{[(2R)-3-{[(1S)-1-Ammonioethyl](hydroxy)phosphoryl}-2-(4-biphenylylmethyl)propanoyl]amino}propanoate

  • Molecular FormulaC21H27N2O5P
  • Average mass418.423 Da
  • Monoisotopic mass418.165771 Da
  • ChemSpider ID23200744

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2-{[(2R)-3-{[(1S)-1-Ammonioethyl](hydroxy)phosphoryl}-2-(4-biphenylylmethyl)propanoyl]amino}propanoat [German] [ACD/IUPAC Name]
(2S)-2-{[(2R)-3-{[(1S)-1-Ammonioethyl](hydroxy)phosphoryl}-2-(4-biphenylylmethyl)propanoyl]amino}propanoate [ACD/IUPAC Name]
(2S)-2-{[(2R)-3-{[(1S)-1-Ammonioéthyl](hydroxy)phosphoryl}-2-(4-biphénylylméthyl)propanoyl]amino}propanoate [French] [ACD/IUPAC Name]
(2S)-2-{[(2R)-3-{[(1S)-1-ammonioethyl](hydroxy)phosphoryl}-2-(biphenyl-4-ylmethyl)propanoyl]amino}propanoate
L-Alanine, N-[(2R)-3-[[(1S)-1-aminoethyl]hydroxyphosphinyl]-2-([1,1'-biphenyl]-4-ylmethyl)-1-oxopropyl]- [ACD/Index Name]
2-{3-[(1-Amino-ethyl)-hydroxy-phosphinoyl]-2-biphenyl-4-ylmethyl-propionylamino}-propionic acid anion
CHEMBL420321
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL420321/

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

Density:
Boiling Point: 784.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 428.2±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.42
ACD/LogD (pH 5.5): -1.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability:
Surface Tension:
Molar Volume:

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