ChemSpider 2D Image | beta-D-Glucopyranosyl-(1->4)-(4xi)-beta-D-xylo-hexopyranosyl-(1->4)-(4xi)-alpha-D-xylo-hexopyranose | C18H32O16

β-D-Glucopyranosyl-(1->4)-(4ξ)-β-D-xylo-hexopyranosyl-(1->4)-(4ξ)-α-D-xylo-hexopyranose

  • Molecular FormulaC18H32O16
  • Average mass504.437 Da
  • Monoisotopic mass504.169037 Da
  • ChemSpider ID388396

  • defined stereocentres - 13 of 15 defined stereocentres

More details:

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

α-D-xylo-Hexopyranose, O-β-D-glucopyranosyl-(1->4)-O(4ξ)-β-D-xylo-hexopyranosyl-(1->4)-, (4ξ)- [ACD/Index Name]
β-D-Glucopyranosyl-(1->4)-(4ξ)-β-D-xylo-hexopyranosyl-(1->4)-(4ξ)-α-D-xylo-hexopyranose [ACD/IUPAC Name]
β-D-Glucopyranosyl-(1->4)-(4ξ)-β-D-xylo-hexopyranosyl-(1->4)-(4ξ)-α-D-xylo-hexopyranose [German] [ACD/IUPAC Name]
β-D-Glucopyranosyl-(1->4)-(4ξ)-β-D-xylo-hexopyranosyl-(1->4)-(4ξ)-α-D-xylo-hexopyranose [French] [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-2-{[(2R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
?-D-Glucan
9008-22-4 [RN]
9012-72-0 [RN]
9041-22-9 [RN]
D-GLUCAN
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C00551 [DBID]
C01379 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 865.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.9±6.0 kJ/mol
Flash Point: 477.0±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 104.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -3.25
ACD/LogD (pH 5.5): -4.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 119.2±5.0 dyne/cm
Molar Volume: 278.7±5.0 cm3

Click to predict properties on the Chemicalize site


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