ChemSpider 2D Image | 2-O-(6-Deoxy-alpha-L-mannopyranosyl)-1-O-[(5xi,8xi,9xi,10xi,16alpha,17xi,18xi)-3-{[6-deoxy-alpha-L-mannopyranosyl-(1->3)-[beta-D-xylopyranosyl-(1->4)]-beta-D-glucopyranosyl]oxy}-16-hydroxy-28-oxoolean -12-en-28-yl]-beta-L-arabinopyranose | C58H94O25

2-O-(6-Deoxy-α-L-mannopyranosyl)-1-O-[(5ξ,8ξ,9ξ,10ξ,16α,17ξ,18ξ)-3-{[6-deoxy-α-L-mannopyranosyl-(1->3)-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranosyl]oxy}-16-hydroxy-28-oxoolean -12-en-28-yl]-β-L-arabinopyranose

  • Molecular FormulaC58H94O25
  • Average mass1191.352 Da
  • Monoisotopic mass1190.608398 Da
  • ChemSpider ID9993388

  • defined stereocentres - 25 of 32 defined stereocentres

More details:

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

2-O-(6-Deoxy-α-L-mannopyranosyl)-1-O-[(5ξ,8ξ,9ξ,10ξ,16α,17ξ,18ξ)-3-{[6-deoxy-α-L-mannopyranosyl-(1->3)-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranosyl]oxy}-16-hydroxy-28-oxoolean 
-12-en-28-yl]-β-L-arabinopyranose [ACD/IUPAC Name]
2-O-(6-Desoxy-α-L-mannopyranosyl)-1-O-[(5ξ,8ξ,9ξ,10ξ,16α,17ξ,18ξ)-3-{[6-desoxy-α-L-mannopyranosyl-(1->3)-[β-D-xylopyranosyl-(1->;4)]-β-D-glucopyranosyl]oxy}-16-hydroxy-28-oxoole 
an-12-en-28-yl]-β-L-arabinopyranose [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-1-O-[(5ξ,8ξ,9ξ,10ξ,16α,17ξ,18ξ)-3-{[6-désoxy-α-L-mannopyranosyl-(1->3)-[β-D-xylopyranosyl-(1->;4)]-β-D-glucopyranosyl]oxy}-16-hydroxy-28-oxoolé 
an-12-én-28-yl]-β-L-arabinopyranose [French] [ACD/IUPAC Name]
β-L-Arabinopyranose, 2-O-(6-deoxy-α-L-mannopyranosyl)-1-O-[(5ξ,8ξ,9ξ,10ξ,16α,17ξ,18ξ)-3-[[O-6-deoxy-α-L-mannopyranosyl-(1->3)-O-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranosyl ]oxy]-16-hydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 288.3±0.4 cm3
#H bond acceptors: 25
#H bond donors: 14
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1206.52
ACD/KOC (pH 5.5): 5585.79
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1206.52
ACD/KOC (pH 7.4): 5585.75
Polar Surface Area: 393 Å2
Polarizability: 114.3±0.5 10-24cm3
Surface Tension: 79.5±5.0 dyne/cm
Molar Volume: 807.2±5.0 cm3

Click to predict properties on the Chemicalize site


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