ChemSpider 2D Image | alpha-D-Xylopyranosyl-(1->3)-[alpha-D-xylopyranosyl-(1->4)]-6-deoxy-alpha-L-mannopyranosyl-(1->2)-6-deoxy-1-O-[(2beta,3beta)-3-(beta-D-glucopyranuronosyloxy)-2,23-dihydroxy-23,28-dioxoolean-12-en-28-y l]-alpha-L-mannopyranose | C58H90O28

α-D-Xylopyranosyl-(1->3)-[α-D-xylopyranosyl-(1->4)]-6-deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-1-O-[(2β,3β)-3-(β-D-glucopyranuronosyloxy)-2,23-dihydroxy-23,28-dioxoolean-12-en-28-y l]-α-L-mannopyranose

  • Molecular FormulaC58H90O28
  • Average mass1235.318 Da
  • Monoisotopic mass1234.561890 Da
  • ChemSpider ID82827041

  • defined stereocentres - 33 of 33 defined stereocentres

More details:

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

α-D-Xylopyranosyl-(1->3)-[α-D-xylopyranosyl-(1->4)]-6-deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-1-O-[(2β,3β)-3-(β-D-glucopyranuronosyloxy)-2,23-dihydroxy-23,28-dioxoolean-12-en-28-y
 l]-α-L-mannopyranose [ACD/IUPAC Name]
α-D-Xylopyranosyl-(1->3)-[α-D-xylopyranosyl-(1->4)]-6-desoxy-α-L-mannopyranosyl-(1->2)-6-desoxy-1-O-[(2β,3β)-3-(β-D-glucopyranuronosyloxy)-2,23-dihydroxy-23,28-dioxoolean-12-en-28
 -yl]-α-L-mannopyranose [German] [ACD/IUPAC Name]
α-D-Xylopyranosyl-(1->3)-[α-D-xylopyranosyl-(1->4)]-6-désoxy-α-L-mannopyranosyl-(1->2)-6-désoxy-1-O-[(2β,3β)-3-(β-D-glucopyranuronosyloxy)-2,23-dihydroxy-23,28-dioxooléan-12-én-28
 -yl]-α-L-mannopyranose [French] [ACD/IUPAC Name]
α-L-Mannopyranose, O-α-D-xylopyranosyl-(1->3)-O-[α-D-xylopyranosyl-(1->;4)]-O-6-deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-1-O-[(2β,3β)-3-(β-D-glucopyranuronosyloxy)-2,23-dihydrox 
y-23,28-dioxoolean-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: 1.648
Molar Refractivity: 290.1±0.4 cm3
#H bond acceptors: 28
#H bond donors: 15
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 4.63
ACD/LogD (pH 5.5): -1.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 447 Å2
Polarizability: 115.0±0.5 10-24cm3
Surface Tension: 87.3±5.0 dyne/cm
Molar Volume: 797.5±5.0 cm3

Click to predict properties on the Chemicalize site


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