ChemSpider 2D Image | (4xi)-3-O-(2-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)-4-[(carboxyacetyl)amino]-4,6-dideoxy-beta-D-xylo-hexopyranose | C17H27NO12

(4ξ)-3-O-(2-O-Acetyl-6-deoxy-α-L-mannopyranosyl)-4-[(carboxyacetyl)amino]-4,6-dideoxy-β-D-xylo-hexopyranose

  • Molecular FormulaC17H27NO12
  • Average mass437.396 Da
  • Monoisotopic mass437.153320 Da
  • ChemSpider ID68024504

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(4ξ)-3-O-(2-O-Acetyl-6-deoxy-α-L-mannopyranosyl)-4-[(carboxyacetyl)amino]-4,6-dideoxy-β-D-xylo-hexopyranose [ACD/IUPAC Name]
(4ξ)-3-O-(2-O-Acétyl-6-désoxy-α-L-mannopyranosyl)-4-[(2-carboxyacétyl)amino]-4,6-didésoxy-β-D-xylo-hexopyranose [French] [ACD/IUPAC Name]
(4ξ)-3-O-(2-O-Acetyl-6-desoxy-α-L-mannopyranosyl)-4-[(carboxyacetyl)amino]-4,6-didesoxy-β-D-xylo-hexopyranose [German] [ACD/IUPAC Name]
β-D-xylo-Hexopyranose, 3-O-(2-O-acetyl-6-deoxy-α-L-mannopyranosyl)-4-[(2-carboxyacetyl)amino]-4,6-dideoxy-, (4ξ)- [ACD/Index Name]
4,6-Dideoxy-4-malonylaminoglucose

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

Density: 1.5±0.1 g/cm3
Boiling Point: 723.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.7±6.0 kJ/mol
Flash Point: 391.3±32.9 °C
Index of Refraction: 1.578
Molar Refractivity: 95.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.09
ACD/LogD (pH 5.5): -3.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 201 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 286.7±5.0 cm3

Click to predict properties on the Chemicalize site


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