ChemSpider 2D Image | 3-O-[3,6-Dideoxy-4-C-(4,5,6,7-tetrahydroxy-1,3-dimethoxyheptyl)-alpha-D-xylo-hexopyranosyl]-beta-L-xylopyranose | C20H38O14

3-O-[3,6-Dideoxy-4-C-(4,5,6,7-tetrahydroxy-1,3-dimethoxyheptyl)-α-D-xylo-hexopyranosyl]-β-L-xylopyranose

  • Molecular FormulaC20H38O14
  • Average mass502.507 Da
  • Monoisotopic mass502.226166 Da
  • ChemSpider ID26331532

  • defined stereocentres - 8 of 13 defined stereocentres

More details:

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

3-O-[3,6-Dideoxy-4-C-(4,5,6,7-tetrahydroxy-1,3-dimethoxyheptyl)-α-D-xylo-hexopyranosyl]-β-L-xylopyranose [ACD/IUPAC Name]
3-O-[3,6-Didesoxy-4-C-(4,5,6,7-tetrahydroxy-1,3-dimethoxyheptyl)-α-D-xylo-hexopyranosyl]-β-L-xylopyranose [German] [ACD/IUPAC Name]
3-O-[3,6-Didésoxy-4-C-(4,5,6,7-tétrahydroxy-1,3-diméthoxyheptyl)-α-D-xylo-hexopyranosyl]-β-L-xylopyranose [French] [ACD/IUPAC Name]
3,6-dideoxy-4-C-(1,3-dimethoxy-4,5,6,7-tetrahydroxyheptyl)-α-D-xylo-hexopyranosyl-(1->3)-β-L-xylopyranose
3,6-dideoxy-4-C-(1,3-dimethoxy-4,5,6,7-tetrahydroxyheptyl)-α-D-xylohexp-(1->3)-β-L-Xylp
3,6-dideoxy-4-C-(1,3-dimethoxy-4,5,6,7-tetrahydroxyheptyl)-α-D-xylo-hexp-(1->3)-β-L-Xylp

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

Density: 1.5±0.1 g/cm3
Boiling Point: 802.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.8±6.0 kJ/mol
Flash Point: 438.8±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 112.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.39
ACD/LogD (pH 5.5): -2.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 80.2±5.0 dyne/cm
Molar Volume: 333.8±5.0 cm3

Click to predict properties on the Chemicalize site


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