ChemSpider 2D Image | (3beta)-3-{[beta-D-Glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-xylopyranosyl]oxy}olean-12-en-28-oic acid | C53H86O21

(3β)-3-{[β-D-Glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-xylopyranosyl]oxy}olean-12-en-28-oic acid

  • Molecular FormulaC53H86O21
  • Average mass1059.237 Da
  • Monoisotopic mass1058.566162 Da
  • ChemSpider ID30830267
  • defined stereocentres - 27 of 27 defined stereocentres


More details:






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

(3β)-3-{[β-D-Glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-xylopyranosyl]oxy}olean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-{[β-D-Glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)-6-desoxy-α-L-mannopyranosyl-(1->2)-β-D-xylopyranosyl]oxy}olean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-{[β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)-6-désoxy-α-L-mannopyranosyl-(1->2)-β-D-xylopyranosyl]oxy}oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[O-β-D-glucopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->3)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-xylopyranosyl]oxy]-, (3β)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 260.8±0.4 cm3
#H bond acceptors: 21
#H bond donors: 12
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 7.42
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 455.05
ACD/KOC (pH 5.5): 1524.05
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 7.17
ACD/KOC (pH 7.4): 24.01
Polar Surface Area: 334 Å2
Polarizability: 103.4±0.5 10-24cm3
Surface Tension: 75.6±5.0 dyne/cm
Molar Volume: 737.7±5.0 cm3

Click to predict properties on the Chemicalize site






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