ChemSpider 2D Image | 1,3,4,6-Tetra-O-acetyl-2-deoxy-2-(4-pentynoylamino)-D-glucopyranose | C19H25NO10

1,3,4,6-Tetra-O-acetyl-2-deoxy-2-(4-pentynoylamino)-D-glucopyranose

  • Molecular FormulaC19H25NO10
  • Average mass427.402 Da
  • Monoisotopic mass427.147858 Da
  • ChemSpider ID103835989

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1,3,4,6-Tetra-O-acetyl-2-deoxy-2-(4-pentynoylamino)-D-glucopyranose [ACD/IUPAC Name]
1,3,4,6-Tetra-O-acetyl-2-desoxy-2-(4-pentynoylamino)-D-glucopyranose [German] [ACD/IUPAC Name]
1,3,4,6-Tétra-O-acétyl-2-désoxy-2-(4-pentynoylamino)-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 2-deoxy-2-[(1-oxo-4-pentyn-1-yl)amino]-, 1,3,4,6-tetraacetate [ACD/Index Name]
[(2R,3S,4R,5R)-3,4,6-triacetyloxy-5-(pent-4-ynoylamino)oxan-2-yl]methyl acetate
[(2R,3S,4R,5R)-3,4,6-tris(acetyloxy)-5-(pent-4-ynamido)oxan-2-yl]methyl acetate
1361993-37-4 [RN]
2-[(4-Pentynoyl)amino]-2-deoxy-D-glucopyranose tetraacetate
Ac4GlcNAlk

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

Density: 1.3±0.1 g/cm3
Boiling Point: 570.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 298.6±30.1 °C
Index of Refraction: 1.504
Molar Refractivity: 98.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 3.01
ACD/KOC (pH 5.5): 76.65
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 3.01
ACD/KOC (pH 7.4): 76.65
Polar Surface Area: 144 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 332.8±5.0 cm3

Click to predict properties on the Chemicalize site


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