ChemSpider 2D Image | (3beta,5xi,6alpha,9beta,16beta,20R,24S)-6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl beta-D-xylopyranoside | C35H58O9

(3β,5ξ,6α,9β,16β,20R,24S)-6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl β-D-xylopyranoside

  • Molecular FormulaC35H58O9
  • Average mass622.830 Da
  • Monoisotopic mass622.408081 Da
  • ChemSpider ID17467160

  • defined stereocentres - 15 of 16 defined stereocentres

More details:

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

(3β,5ξ,6α,9β,16β,20R,24S)-6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl β-D-xylopyranoside [ACD/IUPAC Name]
(3β,5ξ,6α,9β,16β,20R,24S)-6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
β-D-Xylopyranoside de (3β,5ξ,6α,9β,16β,20R,24S)-6,16,25-trihydroxy-20,24-époxy-9,19-cyclolanostan-3-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,5ξ,6α,9β,16β,20R,24S)-20,24-epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl [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: 745.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.0±6.0 kJ/mol
Flash Point: 404.7±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 164.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 173.92
ACD/KOC (pH 5.5): 1397.17
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 173.92
ACD/KOC (pH 7.4): 1397.16
Polar Surface Area: 149 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 479.1±5.0 cm3

Click to predict properties on the Chemicalize site


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