ChemSpider 2D Image | (5xi,6alpha,8xi,9beta,17xi,20R,24S)-16,25-Dihydroxy-6-(beta-L-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-3-yl 3-O-acetyl-2-O-alpha-L-arabinopyranosyl-beta-D-xylopyranoside | C47H76O18

(5ξ,6α,8ξ,9β,17ξ,20R,24S)-16,25-Dihydroxy-6-(β-L-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-3-yl 3-O-acetyl-2-O-α-L-arabinopyranosyl-β-D-xylopyranoside

  • Molecular FormulaC47H76O18
  • Average mass929.096 Da
  • Monoisotopic mass928.503174 Da
  • ChemSpider ID9760826

  • defined stereocentres - 19 of 24 defined stereocentres

More details:

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

(5ξ,6α,8ξ,9β,17ξ,20R,24S)-16,25-Dihydroxy-6-(β-L-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-3-yl 3-O-acetyl-2-O-α-L-arabinopyranosyl-β-D-xylopyranoside [ACD/IUPAC Name]
(5ξ,6α,8ξ,9β,17ξ,20R,24S)-16,25-Dihydroxy-6-(β-L-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-3-yl-3-O-acetyl-2-O-α-L-arabinopyranosyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
3-O-Acétyl-2-O-α-L-arabinopyranosyl-β-D-xylopyranoside de (5ξ,6α,8ξ,9β,17ξ,20R,24S)-16,25-dihydroxy-6-(β-L-xylopyranosyloxy)-20,24-époxy-9,19-cyclolanostan-3-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (5ξ,6α,8ξ,9β,17ξ,20R,24S)-20,24-epoxy-16,25-dihydroxy-6-(β-L-xylopyranosyloxy)-9,19-cyclolanostan-3-yl 2-O-α-L-arabinopyranosyl-, 3-acetate [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 228.8±0.4 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.43
ACD/KOC (pH 5.5): 372.20
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.43
ACD/KOC (pH 7.4): 372.20
Polar Surface Area: 273 Å2
Polarizability: 90.7±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 655.6±5.0 cm3

Click to predict properties on the Chemicalize site


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