ChemSpider 2D Image | N~2~-{(2S)-2-[(N-Acetyl-O-phosphono-L-tyrosyl)amino]-3-methylbutyl}-L-aspartamide | C20H32N5O8P

N2-{(2S)-2-[(N-Acetyl-O-phosphono-L-tyrosyl)amino]-3-methylbutyl}-L-aspartamide

  • Molecular FormulaC20H32N5O8P
  • Average mass501.470 Da
  • Monoisotopic mass501.198853 Da
  • ChemSpider ID9310012

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Aspartamide, N2-[(2S)-2-[[(2S)-2-(acetylamino)-1-oxo-3-[4-(phosphonooxy)phenyl]propyl]amino]-3-methylbutyl]- [ACD/Index Name]
N2-{(2S)-2-[(N-Acetyl-O-phosphono-L-tyrosyl)amino]-3-methylbutyl}-L-aspartamid [German] [ACD/IUPAC Name]
N2-{(2S)-2-[(N-Acetyl-O-phosphono-L-tyrosyl)amino]-3-methylbutyl}-L-aspartamide [ACD/IUPAC Name]
N2-{(2S)-2-[(N-Acétyl-O-phosphono-L-tyrosyl)amino]-3-méthylbutyl}-L-aspartamide [French] [ACD/IUPAC 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: 1.567
Molar Refractivity: 121.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -2.52
ACD/LogD (pH 5.5): -5.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 233 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 370.8±3.0 cm3

Click to predict properties on the Chemicalize site


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