ChemSpider 2D Image | (3beta,6beta,9xi,14xi,15alpha,16beta,24xi)-6,8,15,16-Tetrahydroxy-28-(beta-D-xylopyranosyloxy)ergostan-3-yl 2-O-methyl-beta-D-xylopyranoside | C39H68O14

(3β,6β,9ξ,14ξ,15α,16β,24ξ)-6,8,15,16-Tetrahydroxy-28-(β-D-xylopyranosyloxy)ergostan-3-yl 2-O-methyl-β-D-xylopyranoside

  • Molecular FormulaC39H68O14
  • Average mass760.949 Da
  • Monoisotopic mass760.460938 Da
  • ChemSpider ID10031112

  • defined stereocentres - 17 of 21 defined stereocentres

More details:

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

(3β,6β,9ξ,14ξ,15α,16β,24ξ)-6,8,15,16-Tetrahydroxy-28-(β-D-xylopyranosyloxy)ergostan-3-yl 2-O-methyl-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,6β,9ξ,14ξ,15α,16β,24ξ)-6,8,15,16-Tetrahydroxy-28-(β-D-xylopyranosyloxy)ergostan-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,24ξ)-6,8,15,16-tétrahydroxy-28-(β-D-xylopyranosyloxy)ergostan-3-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,6β,9ξ,14ξ,15α,16β,24ξ)-6,8,15,16-tetrahydroxy-28-(β-D-xylopyranosyloxy)ergostan-3-yl 2-O-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 863.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.5±6.0 kJ/mol
Flash Point: 475.7±34.3 °C
Index of Refraction: 1.593
Molar Refractivity: 192.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.68
ACD/KOC (pH 5.5): 176.55
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.68
ACD/KOC (pH 7.4): 176.55
Polar Surface Area: 228 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 66.1±5.0 dyne/cm
Molar Volume: 568.4±5.0 cm3

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