ChemSpider 2D Image | 4-Amino-1,2,4,6-tetradeoxy-2-{[N-(phenoxyacetyl)-L-valyl]amino}-1,6-diphenyl-D-glucitol | C31H39N3O5

4-Amino-1,2,4,6-tetradeoxy-2-{[N-(phenoxyacetyl)-L-valyl]amino}-1,6-diphenyl-D-glucitol

  • Molecular FormulaC31H39N3O5
  • Average mass533.659 Da
  • Monoisotopic mass533.289001 Da
  • ChemSpider ID35033319

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(S)-N-((2s,3s,4r,5r)-4-Amino-3,5-Dihydroxy-1,6-Diphenylhexan-2-Yl)-3-Methyl-2-(2-Phenoxyacetamido)butanamide
4-Amino-1,2,4,6-tetradeoxy-2-{[N-(phenoxyacetyl)-L-valyl]amino}-1,6-diphenyl-D-glucitol [ACD/IUPAC Name]
4-Amino-1,2,4,6-tétradésoxy-2-{[N-(2-phénoxyacétyl)-L-valyl]amino}-1,6-diphényl-D-glucitol [French] [ACD/IUPAC Name]
4-Amino-1,2,4,6-tetradesoxy-2-{[N-(phenoxyacetyl)-L-valyl]amino}-1,6-diphenyl-D-glucitol [German] [ACD/IUPAC Name]
D-Glucitol, 4-amino-1,2,4,6-tetradeoxy-2-[[(2S)-3-methyl-1-oxo-2-[(2-phenoxyacetyl)amino]butyl]amino]-1,6-diphenyl- [ACD/Index Name]

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

079 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 830.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.5±3.0 kJ/mol
Flash Point: 456.0±34.3 °C
Index of Refraction: 1.593
Molar Refractivity: 151.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.87
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 3.98
ACD/KOC (pH 7.4): 28.17
Polar Surface Area: 134 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 445.7±3.0 cm3

Click to predict properties on the Chemicalize site


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