ChemSpider 2D Image | (3alpha,8alpha,9beta,10alpha,13alpha,14beta,16beta,17beta,20R,22R,25S)-26-(beta-L-Glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl alpha-D-arabinofuranosyl-(1->4)-[6-deoxy-alpha-D-mannopyranosyl-(1->3)]- beta-D-glucopyranoside | C51H84O22

(3α,8α,9β,10α,13α,14β,16β,17β,20R,22R,25S)-26-(β-L-Glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl α-D-arabinofuranosyl-(1->4)-[6-deoxy-α-D-mannopyranosyl-(1->3)]- β-D-glucopyranoside

  • Molecular FormulaC51H84O22
  • Average mass1049.199 Da
  • Monoisotopic mass1048.545410 Da
  • ChemSpider ID82966045

  • defined stereocentres - 30 of 30 defined stereocentres

More details:

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

(3α,8α,9β,10α,13α,14β,16β,17β,20R,22R,25S)-26-(β-L-Glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl α-D-arabinofuranosyl-(1->4)-[6-deoxy-α-D-mannopyranosyl-(1->3)]- ; β-D-glucopyranoside [ACD/IUPAC Name]
(3α,8α,9β,10α,13α,14β,16β,17β,20R,22R,25S)-26-(β-L-Glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl-α-D-arabinofuranosyl-(1->4)-[6-desoxy-α-D-mannopyranosyl-(1->3)] ; -β-D-glucopyranosid [German] [ACD/IUPAC Name]
α-D-Arabinofuranosyl-(1->4)-[6-désoxy-α-D-mannopyranosyl-(1->3)]-β-D-glucopyranoside de (3α,8α,9β,10α,13α,14β,16β,17β,20R,22R,25S)-26-(β-L-glucopyranosyloxy)- 
22-méthoxyfurost-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3α,8α,9β,10α,13α,14β,16β,17β,20β,22β,25S)-26-(β-L-glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl O-α-D-arabinofuranosyl-(1->4)-O-[6-deo xy-α-D-mannopyranosyl-(1->3)]- [ACD/Index Name]

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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