ChemSpider 2D Image | (2S)-2-[(N-Benzoyl-L-tyrosyl)amino]-3-(4-hydroxyphenyl)propyl acetate | C27H28N2O6

(2S)-2-[(N-Benzoyl-L-tyrosyl)amino]-3-(4-hydroxyphenyl)propyl acetate

  • Molecular FormulaC27H28N2O6
  • Average mass476.521 Da
  • Monoisotopic mass476.194733 Da
  • ChemSpider ID78440740

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-[(N-Benzoyl-L-tyrosyl)amino]-3-(4-hydroxyphenyl)propyl acetate [ACD/IUPAC Name]
(2S)-2-[(N-Benzoyl-L-tyrosyl)amino]-3-(4-hydroxyphenyl)propyl-acetat [German] [ACD/IUPAC Name]
Acétate de (2S)-2-[(N-benzoyl-L-tyrosyl)amino]-3-(4-hydroxyphényl)propyle [French] [ACD/IUPAC Name]
Benzenepropanamide, N-[(1S)-2-(acetyloxy)-1-[(4-hydroxyphenyl)methyl]ethyl]-α-(benzoylamino)-4-hydroxy-, (αS)- [ACD/Index Name]
Cordyceamide B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 805.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 440.7±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 130.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.05
ACD/KOC (pH 5.5): 947.22
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.39
ACD/KOC (pH 7.4): 941.07
Polar Surface Area: 125 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 373.8±3.0 cm3

Click to predict properties on the Chemicalize site


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