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

(3α,8α,9β,10α,13α,14β,16β,17β,20R,22S,25S)-26-(β-L-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl 6-deoxy-α-D-mannopyranosyl-(1->2)-[6-deoxy-α-D-mannopyranosyl-(1 ->4)]-β-L-glucopyranoside

  • Molecular FormulaC51H84O22
  • Average mass1049.199 Da
  • Monoisotopic mass1048.545410 Da
  • ChemSpider ID68894689

  • defined stereocentres - 31 of 31 defined stereocentres

More details:

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

(3α,8α,9β,10α,13α,14β,16β,17β,20R,22S,25S)-26-(β-L-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl 6-deoxy-α-D-mannopyranosyl-(1->2)-[6-deoxy-α-D-mannopyranosyl-(1 
->4)]-β-L-glucopyranoside [ACD/IUPAC Name]
(3α,8α,9β,10α,13α,14β,16β,17β,20R,22S,25S)-26-(β-L-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl-6-desoxy-α-D-mannopyranosyl-(1->2)-[6-desoxy-α-D-mannopyranosyl- 
(1->4)]-β-L-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-D-mannopyranosyl-(1->2)-[6-désoxy-α-D-mannopyranosyl-(1->4)]-β-L-glucopyranoside de (3α,8α,9β,10α,13α,14β,16β,17β,20R,22S,25S)-26-(β-L-glucopyranos 
yloxy)-22-hydroxyfurost-5-én-3-yle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, (3α,8α,9β,10α,13α,14β,16β,17β,20β,22α,25S)-26-(β-L-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-α-D-mannopyranosyl-(1->2)-O -[6-deoxy-α-D-mannopyranosyl-(1->4)]- [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: 1.632
Molar Refractivity: 254.5±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.31
ACD/KOC (pH 5.5): 98.99
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.31
ACD/KOC (pH 7.4): 98.99
Polar Surface Area: 346 Å2
Polarizability: 100.9±0.5 10-24cm3
Surface Tension: 78.9±5.0 dyne/cm
Molar Volume: 713.9±5.0 cm3

Click to predict properties on the Chemicalize site


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