ChemSpider 2D Image | (3beta,16R,22R,25R)-26-(beta-D-Glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl beta-D-arabinofuranosyl-(1->4)-[6-deoxy-L-mannopyranosyl-(1->3)]-beta-D-galactopyranoside | C51H84O22

(3β,16R,22R,25R)-26-(β-D-Glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl β-D-arabinofuranosyl-(1->4)-[6-deoxy-L-mannopyranosyl-(1->3)]-β-D-galactopyranoside

  • Molecular FormulaC51H84O22
  • Average mass1049.199 Da
  • Monoisotopic mass1048.545410 Da
  • ChemSpider ID65258396

  • defined stereocentres - 29 of 30 defined stereocentres

More details:

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

(3β,16R,22R,25R)-26-(β-D-Glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl β-D-arabinofuranosyl-(1->4)-[6-deoxy-L-mannopyranosyl-(1->3)]-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,16R,22R,25R)-26-(β-D-Glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl-β-D-arabinofuranosyl-(1->4)-[6-desoxy-L-mannopyranosyl-(1->3)]-β-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Arabinofuranosyl-(1->4)-[6-désoxy-L-mannopyranosyl-(1->3)]-β-D-galactopyranoside de (3β,16R,22R,25R)-26-(β-D-glucopyranosyloxy)-22-méthoxyfurost-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (3β,16R,22β,25R)-26-(β-D-glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl O-β-D-arabinofuranosyl-(1->4)-O-[6-deoxy-L-mannopyranosyl-(1->3)]- [ACD/Index Name]
76296-75-8 [RN]
Polyphyllin?VII

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: 1.623
Molar Refractivity: 254.8±0.4 cm3
#H bond acceptors: 22
#H bond donors: 12
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.39
ACD/KOC (pH 5.5): 234.62
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.39
ACD/KOC (pH 7.4): 234.62
Polar Surface Area: 335 Å2
Polarizability: 101.0±0.5 10-24cm3
Surface Tension: 76.2±5.0 dyne/cm
Molar Volume: 722.0±5.0 cm3

Click to predict properties on the Chemicalize site


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