ChemSpider 2D Image | (2S)-2-({[Ethoxy(hydroxy)phosphoryl](2-hydroxyphenyl)methyl}amino)-3-(4-hydroxyphenyl)propanoate | C18H21NO7P

(2S)-2-({[Ethoxy(hydroxy)phosphoryl](2-hydroxyphenyl)methyl}amino)-3-(4-hydroxyphenyl)propanoate

  • Molecular FormulaC18H21NO7P
  • Average mass394.336 Da
  • Monoisotopic mass394.106110 Da
  • ChemSpider ID34893752

  • Charge - Charge

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-2-({[Ethoxy(hydroxy)phosphoryl](2-hydroxyphenyl)methyl}amino)-3-(4-hydroxyphenyl)propanoat [German] [ACD/IUPAC Name]
(2S)-2-({[Ethoxy(hydroxy)phosphoryl](2-hydroxyphenyl)methyl}amino)-3-(4-hydroxyphenyl)propanoate [ACD/IUPAC Name]
(2S)-2-({[Éthoxy(hydroxy)phosphoryl](2-hydroxyphényl)méthyl}amino)-3-(4-hydroxyphényl)propanoate [French] [ACD/IUPAC Name]
L-Tyrosine, N-[(ethoxyhydroxyphosphinyl)(2-hydroxyphenyl)methyl]-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 640.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 341.3±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.86
ACD/LogD (pH 5.5): -2.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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