ChemSpider 2D Image | N-Methyl-L-valyl-Nalpha-[2-(4-hydroxyphenyl)-1-phosphonoethyl]-L-phenylalaninamide | C23H32N3O6P

N-Methyl-L-valyl-Nα-[2-(4-hydroxyphenyl)-1-phosphonoethyl]-L-phenylalaninamide

  • Molecular FormulaC23H32N3O6P
  • Average mass477.490 Da
  • Monoisotopic mass477.202881 Da
  • ChemSpider ID58805379

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

L-Phenylalaninamide, N-methyl-L-valyl-Nα-[2-(4-hydroxyphenyl)-1-phosphonoethyl]- [ACD/Index Name]
N-Methyl-L-valyl-Nα-[2-(4-hydroxyphenyl)-1-phosphonoethyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-Methyl-L-valyl-Nα-[2-(4-hydroxyphenyl)-1-phosphonoethyl]-L-phenylalaninamide [ACD/IUPAC Name]
N-Méthyl-L-valyl-Nα-[2-(4-hydroxyphényl)-1-phosphonoéthyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
(1-((S)-N-((S)-1-Amino-1-oxo-3-phenylpropan-2-yl)-3-methyl-2-(methylamino)butanamido)-2-(4-hydroxyphenyl)ethyl)phosphonic acid
84890-90-4 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 773.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 421.7±35.7 °C
Index of Refraction: 1.599
Molar Refractivity: 124.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.31
ACD/LogD (pH 5.5): -1.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 364.6±3.0 cm3

Click to predict properties on the Chemicalize site


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