ChemSpider 2D Image | (3beta,6beta,9xi,14xi,15alpha,16beta,25S)-6,8,15,16-Tetrahydroxy-28-methyl-26-(beta-D-xylopyranosyloxy)stigmast-4-en-3-yl 2-O-methyl-beta-D-xylopyranoside | C41H70O14

(3β,6β,9ξ,14ξ,15α,16β,25S)-6,8,15,16-Tetrahydroxy-28-methyl-26-(β-D-xylopyranosyloxy)stigmast-4-en-3-yl 2-O-methyl-β-D-xylopyranoside

  • Molecular FormulaC41H70O14
  • Average mass786.986 Da
  • Monoisotopic mass786.476563 Da
  • ChemSpider ID8254530
  • defined stereocentres - 19 of 21 defined stereocentres


More details:






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

(3β,6β,9ξ,14ξ,15α,16β,25S)-6,8,15,16-Tetrahydroxy-28-methyl-26-(β-D-xylopyranosyloxy)stigmast-4-en-3-yl 2-O-methyl-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,6β,9ξ,14ξ,15α,16β,25S)-6,8,15,16-Tetrahydroxy-28-methyl-26-(β-D-xylopyranosyloxy)stigmast-4-en-3-yl-2-O-methyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
2-O-Méthyl-β-D-xylopyranoside de (3β,6β,9ξ,14ξ,15α,16β,25S)-6,8,15,16-tétrahydroxy-28-méthyl-26-(β-D-xylopyranosyloxy)stigmast-4-én-3-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,6β,9ξ,14ξ,15α,16β,25S)-6,8,15,16-tetrahydroxy-28-methyl-26-(β-D-xylopyranosyloxy)stigmast-4-en-3-yl 2-O-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 887.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.5±6.0 kJ/mol
Flash Point: 490.6±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 201.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.35
ACD/KOC (pH 5.5): 558.48
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.35
ACD/KOC (pH 7.4): 558.48
Polar Surface Area: 228 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 593.5±5.0 cm3

Click to predict properties on the Chemicalize site






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