ChemSpider 2D Image | 3-O-[beta-D-xylopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl acacic acid lactone | C48H75NO17

3-O-[β-D-xylopyranosyl(1->2)-α-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-β-D-glucopyranosyl acacic acid lactone

  • Molecular FormulaC48H75NO17
  • Average mass938.106 Da
  • Monoisotopic mass937.503479 Da
  • ChemSpider ID17614294

  • defined stereocentres - 23 of 23 defined stereocentres

More details:

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

(3β,16α,21β)-16-Hydroxy-28-oxo-21,28-epoxyolean-12-en-3-yl β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->;6)-2-acetamido-2-deoxy-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,16α,21β)-16-Hydroxy-28-oxo-21,28-epoxyolean-12-en-3-yl-β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->;6)-2-acetamido-2-desoxy-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3-O-[β-D-xylopyranosyl(1->2)-α-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-β-D-glucopyranosyl acacic acid lactone
Olean-12-en-28-one, 21,28-epoxy-16-hydroxy-3-[[O-β-D-xylopyranosyl-(1->2)-O-α-L-arabinopyranosyl-(1->6)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]-, (3β,16α,21β)- [ACD/Index Name]
β-D-Xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->6)-2-acétamido-2-désoxy-β-D-glucopyranoside de (3β,16α,21β)-16-hydroxy-28-oxo-21,28-époxyoléan-12-én-3-yle [French] [ACD/IUPAC Name]
(3β,16α,21β)-16-hydroxy-28-oxo-21,28-epoxyolean-12-en-3-yl β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->;6)-2-(acetylamino)-2-deoxy-β-D-glucopyranoside
3-O-β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->6)-β-D-acetamido-2-deoxy-glucopyranosylacacic acid lactone
Prosapogenin 4

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: 1.620
Molar Refractivity: 233.6±0.4 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 747.02
ACD/KOC (pH 5.5): 3963.29
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 747.01
ACD/KOC (pH 7.4): 3963.24
Polar Surface Area: 273 Å2
Polarizability: 92.6±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 665.3±5.0 cm3

Click to predict properties on the Chemicalize site


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