ChemSpider 2D Image | (3beta,13alpha,16alpha,17alpha,21beta)-16,21-Dihydroxy-13,28-epoxyurs-11-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->2)-6-deoxy-beta-D-galactopyranoside | C48H78O17

(3β,13α,16α,17α,21β)-16,21-Dihydroxy-13,28-epoxyurs-11-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-6-deoxy-β-D-galactopyranoside

  • Molecular FormulaC48H78O17
  • Average mass927.123 Da
  • Monoisotopic mass926.523926 Da
  • ChemSpider ID9269346
  • defined stereocentres - 28 of 28 defined stereocentres


More details:






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

(3β,13α,16α,17α,21β)-16,21-Dihydroxy-13,28-epoxyurs-11-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-6-deoxy-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,13α,16α,17α,21β)-16,21-Dihydroxy-13,28-epoxyurs-11-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-6-desoxy-β-D-galactopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-6-désoxy-β-D-galactopyranoside de (3β,13α,16α,17α,21β)-16,21-dihydroxy-13,28-époxyurs-11-én-3-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (3β,13α,16α,17α,21β)-13,28-epoxy-16,21-dihydroxyurs-11-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-β-D-glucopyranosyl-(1->;2)-6-deoxy- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 232.9±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 7.12
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2224.98
ACD/KOC (pH 5.5): 8656.34
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2224.97
ACD/KOC (pH 7.4): 8656.32
Polar Surface Area: 267 Å2
Polarizability: 92.3±0.5 10-24cm3
Surface Tension: 70.8±5.0 dyne/cm
Molar Volume: 661.5±5.0 cm3

Click to predict properties on the Chemicalize site






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