ChemSpider 2D Image | (3beta)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-[(5R)-5-ethyl-beta-D-xylopyranosyl-(1->4)]-alpha-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid | C48H78O16

(3β)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[(5R)-5-ethyl-β-D-xylopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid

  • Molecular FormulaC48H78O16
  • Average mass911.123 Da
  • Monoisotopic mass910.528992 Da
  • ChemSpider ID30832722

  • defined stereocentres - 23 of 23 defined stereocentres

More details:

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

(3β)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[(5R)-5-ethyl-β-D-xylopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-{[6-Desoxy-α-L-mannopyranosyl-(1->2)-[(5R)-5-ethyl-β-D-xylopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-{[6-désoxy-α-L-mannopyranosyl-(1->2)-[(5R)-5-éthyl-β-D-xylopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}-23-hydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[6,7-dideoxy-β-D-gluco-heptopyranosyl-(1->;4)]-α-L-arabinopyranosyl]oxy]-23-hydroxy-, (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: 973.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.8±6.0 kJ/mol
Flash Point: 276.3±27.8 °C
Index of Refraction: 1.607
Molar Refractivity: 231.7±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 9.19
ACD/LogD (pH 5.5): 5.94
ACD/BCF (pH 5.5): 11574.57
ACD/KOC (pH 5.5): 15388.31
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 182.27
ACD/KOC (pH 7.4): 242.33
Polar Surface Area: 255 Å2
Polarizability: 91.8±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 670.8±5.0 cm3

Click to predict properties on the Chemicalize site


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