ChemSpider 2D Image | 4,5-Anhydro-1,2,6-trideoxy-2-{[N-(phenoxyacetyl)-L-valyl]amino}-1,6-diphenyl-D-galactitol | C31H36N2O5

4,5-Anhydro-1,2,6-trideoxy-2-{[N-(phenoxyacetyl)-L-valyl]amino}-1,6-diphenyl-D-galactitol

  • Molecular FormulaC31H36N2O5
  • Average mass516.628 Da
  • Monoisotopic mass516.262451 Da
  • ChemSpider ID35033318
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(S)-N-((1r,2s)-1-((2r,3r)-3-Benzyloxiran-2-Yl)-1-Hydroxy-3-Phenylpropan-2-Yl)-3-Methyl-2-(2-Phenoxyacetamido)butanamide
4,5-Anhydro-1,2,6-trideoxy-2-{[N-(phenoxyacetyl)-L-valyl]amino}-1,6-diphenyl-D-galactitol [ACD/IUPAC Name]
4,5-Anhydro-1,2,6-tridésoxy-2-{[N-(2-phénoxyacétyl)-L-valyl]amino}-1,6-diphényl-D-galactitol [French] [ACD/IUPAC Name]
4,5-Anhydro-1,2,6-tridesoxy-2-{[N-(phenoxyacetyl)-L-valyl]amino}-1,6-diphenyl-D-galactitol [German] [ACD/IUPAC Name]
D-Galactitol, 4,5-anhydro-1,2,6-trideoxy-2-[[(2S)-3-methyl-1-oxo-2-[(2-phenoxyacetyl)amino]butyl]amino]-1,6-diphenyl- [ACD/Index Name]
076

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

Density: 1.2±0.1 g/cm3
Boiling Point: 788.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.2±3.0 kJ/mol
Flash Point: 430.4±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 145.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.96
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3659.92
ACD/KOC (pH 5.5): 12368.79
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3659.91
ACD/KOC (pH 7.4): 12368.73
Polar Surface Area: 100 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 429.8±3.0 cm3

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