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Search term: NCJYNTULOJIUPY-NWVWQQAFSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-2-{[(2R)-3-{[(S)-Ammonio(phenyl)methyl](hydroxy)phosphoryl}-2-(4-biphenylylmethyl)propanoyl]amino}propanoate | C26H29N2O5P

(2S)-2-{[(2R)-3-{[(S)-Ammonio(phenyl)methyl](hydroxy)phosphoryl}-2-(4-biphenylylmethyl)propanoyl]amino}propanoate

  • Molecular FormulaC26H29N2O5P
  • Average mass480.493 Da
  • Monoisotopic mass480.181396 Da
  • ChemSpider ID23200730

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2-{[(2R)-3-{[(S)-Ammonio(phenyl)methyl](hydroxy)phosphoryl}-2-(4-biphenylylmethyl)propanoyl]amino}propanoat [German] [ACD/IUPAC Name]
(2S)-2-{[(2R)-3-{[(S)-Ammonio(phenyl)methyl](hydroxy)phosphoryl}-2-(4-biphenylylmethyl)propanoyl]amino}propanoate [ACD/IUPAC Name]
(2S)-2-{[(2R)-3-{[(S)-Ammonio(phényl)méthyl](hydroxy)phosphoryl}-2-(4-biphénylylméthyl)propanoyl]amino}propanoate [French] [ACD/IUPAC Name]
(2S)-2-{[(2R)-3-{[(S)-ammonio(phenyl)methyl](hydroxy)phosphoryl}-2-(biphenyl-4-ylmethyl)propanoyl]amino}propanoate
L-Alanine, N-[(2R)-3-[[(S)-aminophenylmethyl]hydroxyphosphinyl]-2-([1,1'-biphenyl]-4-ylmethyl)-1-oxopropyl]- [ACD/Index Name]
2-{3-[(Amino-phenyl-methyl)-hydroxy-phosphinoyl]-2-biphenyl-4-ylmethyl-propionylamino}-propionic acid anion
CHEMBL117394

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

Density:
Boiling Point: 842.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.4±3.0 kJ/mol
Flash Point: 463.5±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.12
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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