ChemSpider 2D Image | 6-Deoxy-beta-L-mannopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->6)-1-O-[(3alpha,5xi,9xi,11alpha,18xi)-3,11,24,29-tetrahydroxy-24,28-dioxolup-20(30)-en-28-yl]-beta-L-galactopyranose | C48H76O21

6-Deoxy-β-L-mannopyranosyl-(1->4)-α-D-glucopyranosyl-(1->6)-1-O-[(3α,5ξ,9ξ,11α,18ξ)-3,11,24,29-tetrahydroxy-24,28-dioxolup-20(30)-en-28-yl]-β-L-galactopyranose

  • Molecular FormulaC48H76O21
  • Average mass989.104 Da
  • Monoisotopic mass988.487915 Da
  • ChemSpider ID28287782

  • defined stereocentres - 24 of 27 defined stereocentres

More details:

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6-Deoxy-β-L-mannopyranosyl-(1->4)-α-D-glucopyranosyl-(1->6)-1-O-[(3α,5ξ,9ξ,11α,18ξ)-3,11,24,29-tetrahydroxy-24,28-dioxolup-20(30)-en-28-yl]-β-L-galactopyranose [ACD/IUPAC Name]
6-Desoxy-β-L-mannopyranosyl-(1->4)-α-D-glucopyranosyl-(1->6)-1-O-[(3α,5ξ,9ξ,11α,18ξ)-3,11,24,29-tetrahydroxy-24,28-dioxolup-20(30)-en-28-yl]-β-L-galactopyranose [German] [ACD/IUPAC Name]
6-Désoxy-β-L-mannopyranosyl-(1->4)-α-D-glucopyranosyl-(1->6)-1-O-[(3α,5ξ,9ξ,11α,18ξ)-3,11,24,29-tétrahydroxy-24,28-dioxolup-20(30)-én-28-yl]-β-L-galactopyranose [French] [ACD/IUPAC Name]
β-L-Galactopyranose, O-6-deoxy-β-L-mannopyranosyl-(1->4)-O-α-D-glucopyranosyl-(1->6)-1-O-[(3α,5ξ,9ξ,11α,18ξ)-3,11,24,29-tetrahydroxy-24,28-dioxolup-20(30)-en-28-yl]- [ACD/Index Name]
acankoreoside M

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1083.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 179.9±6.0 kJ/mol
Flash Point: 308.3±27.8 °C
Index of Refraction: 1.640
Molar Refractivity: 237.7±0.4 cm3
#H bond acceptors: 21
#H bond donors: 13
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.29
ACD/LogD (pH 7.4): -3.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 353 Å2
Polarizability: 94.2±0.5 10-24cm3
Surface Tension: 83.2±5.0 dyne/cm
Molar Volume: 659.9±5.0 cm3

Click to predict properties on the Chemicalize site


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