ChemSpider 2D Image | 1,2,4-Trideoxy-4-methyl-2-{[N-(4-morpholinylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol | C31H44N4O7

1,2,4-Trideoxy-4-methyl-2-{[N-(4-morpholinylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol

  • Molecular FormulaC31H44N4O7
  • Average mass584.704 Da
  • Monoisotopic mass584.320984 Da
  • ChemSpider ID35033307

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1,2,4-Trideoxy-4-methyl-2-{[N-(4-morpholinylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol [ACD/IUPAC Name]
1,2,4-Trideoxy-4-Methyl-2-{[n-(Morpholin-4-Ylacetyl)-L-Alanyl-O-Methyl-L-Tyrosyl]amino}-1-Phenyl-D-Xylitol
1,2,4-Tridésoxy-4-méthyl-2-({N-[2-(4-morpholinyl)acétyl]-L-alanyl-O-méthyl-L-tyrosyl}amino)-1-phényl-D-xylitol [French] [ACD/IUPAC Name]
1,2,4-Tridesoxy-4-methyl-2-{[N-(4-morpholinylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol [German] [ACD/IUPAC Name]
D-Xylitol, 1,2,4-trideoxy-2-[[(2S)-3-(4-methoxyphenyl)-2-[[(2S)-2-[[2-(4-morpholinyl)acetyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-4-methyl-1-phenyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 909.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.6±3.0 kJ/mol
Flash Point: 504.1±34.3 °C
Index of Refraction: 1.566
Molar Refractivity: 157.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 3.94
ACD/KOC (pH 5.5): 83.57
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.69
ACD/KOC (pH 7.4): 120.50
Polar Surface Area: 149 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 484.3±3.0 cm3

Click to predict properties on the Chemicalize site


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