ChemSpider 2D Image | Undecyl (5xi)-4-O-[(5xi)-beta-D-arabino-hexopyranosyl]-1-thio-alpha-L-xylo-hexopyranoside | C23H44O10S

Undecyl (5ξ)-4-O-[(5ξ)-β-D-arabino-hexopyranosyl]-1-thio-α-L-xylo-hexopyranoside

  • Molecular FormulaC23H44O10S
  • Average mass512.654 Da
  • Monoisotopic mass512.265503 Da
  • ChemSpider ID24540355

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(5ξ)-4-O-[(5ξ)-β-D-arabino-Hexopyranosyl]-1-thio-α-L-xylo-hexopyranoside d'undécyle [French] [ACD/IUPAC Name]
Undecyl (5ξ)-4-O-[(5ξ)-β-D-arabino-hexopyranosyl]-1-thio-α-L-xylo-hexopyranoside [ACD/IUPAC Name]
Undecyl-(5ξ)-4-O-[(5ξ)-β-D-arabino-hexopyranosyl]-1-thio-α-L-xylo-hexopyranosid [German] [ACD/IUPAC Name]
α-L-xylo-Hexopyranoside, undecyl 4-O-[(5ξ)-β-D-arabino-hexopyranosyl]-1-thio-, (5ξ)- [ACD/Index Name]
(2S,3S,5S,4R)-2-[(4S,5S,6S,3R)-4,5-dihydroxy-2-(hydroxymethyl)-6-undecylthio(2H-3,4,5,6-tetrahydropyran-3-yloxy)]-6-(hydroxymethyl)-2H-3,4,5,6-tetrahydropyran-3,4,5-triol
Undecyl b-D-thiomaltopyranoside

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 724.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.8±6.0 kJ/mol
Flash Point: 391.9±32.9 °C
Index of Refraction: 1.576
Molar Refractivity: 128.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 47.14
ACD/KOC (pH 5.5): 548.79
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 47.14
ACD/KOC (pH 7.4): 548.78
Polar Surface Area: 195 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 387.7±5.0 cm3

Click to predict properties on the Chemicalize site


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