ChemSpider 2D Image | (3beta,13alpha,16alpha,17alpha)-16,23-Dihydroxy-13,28-epoxyurs-11-en-3-yl beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside | C47H76O18

(3β,13α,16α,17α)-16,23-Dihydroxy-13,28-epoxyurs-11-en-3-yl β-D-xylopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside

  • Molecular FormulaC47H76O18
  • Average mass929.096 Da
  • Monoisotopic mass928.503174 Da
  • ChemSpider ID9182705

  • defined stereocentres - 27 of 27 defined stereocentres

More details:

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

(3β,13α,16α,17α)-16,23-Dihydroxy-13,28-epoxyurs-11-en-3-yl β-D-xylopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,13α,16α,17α)-16,23-Dihydroxy-13,28-epoxyurs-11-en-3-yl-β-D-xylopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,13α,16α,17α)-13,28-epoxy-16,23-dihydroxyurs-11-en-3-yl O-β-D-xylopyranosyl-(1->2)-O-β-D-glucopyranosyl-(1->2)- [ACD/Index Name]
β-D-Xylopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside de (3β,13α,16α,17α)-16,23-dihydroxy-13,28-époxyurs-11-én-3-yle [French] [ACD/IUPAC 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: 1.636
Molar Refractivity: 229.9±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 716.74
ACD/KOC (pH 5.5): 3847.64
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 716.74
ACD/KOC (pH 7.4): 3847.62
Polar Surface Area: 287 Å2
Polarizability: 91.1±0.5 10-24cm3
Surface Tension: 76.9±5.0 dyne/cm
Molar Volume: 641.5±5.0 cm3

Click to predict properties on the Chemicalize site


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