ChemSpider 2D Image | (3beta,22S,25S)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-(2xi)-beta-D-lyxo-hexopyranosyl]oxy}-22,25-epoxyfurost-5-en-26-yl beta-D-glucopyranoside | C51H82O23

(3β,22S,25S)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-(2ξ)-β-D-lyxo-hexopyranosyl]oxy}-22,25-epoxyfurost-5-en-26-yl β-D-glucopyranoside

  • Molecular FormulaC51H82O23
  • Average mass1063.183 Da
  • Monoisotopic mass1062.524658 Da
  • ChemSpider ID139863

  • defined stereocentres - 30 of 31 defined stereocentres

More details:

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

(3β,22S,25S)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-(2ξ)-β-D-lyxo-hexopyranosyl]oxy}-22,25-epoxyfurost-5-en-26-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,22S,25S)-3-{[6-Desoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-(2ξ)-β-D-lyxo-hexopyranosyl]oxy}-22,25-epoxyfurost-5-en-26-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (3β,22S,25S)-3-{[6-désoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-(2ξ)-β-D-lyxo-hexopyranosyl]oxy}-22,25-époxyfurost-5-én-26-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,22β,25S)-3-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->3)]-(2ξ)-β-D-lyxo-hexopyranosyl]oxy]-22,25-epoxyfurost-5-en-26-yl [ACD/Index Name]
86840-70-2 [RN]
β-D-Galactopyranoside, (3β,22α,25S)-22,25-epoxy-26-(β-D-glucopyranosyloxy)furost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-(β-D-glucopyranosyl-(1->3))-

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.646
Molar Refractivity: 254.3±0.4 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.53
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.53
Polar Surface Area: 355 Å2
Polarizability: 100.8±0.5 10-24cm3
Surface Tension: 83.3±5.0 dyne/cm
Molar Volume: 700.7±5.0 cm3

Click to predict properties on the Chemicalize site


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