ChemSpider 2D Image | (3beta,5xi,6alpha,8xi,9beta,16beta,20xi)-16,25-Dihydroxy-3-(beta-D-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-yl 2-deoxy-beta-D-arabino-hexopyranoside | C41H68O13

(3β,5ξ,6α,8ξ,9β,16β,20ξ)-16,25-Dihydroxy-3-(β-D-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-yl 2-deoxy-β-D-arabino-hexopyranoside

  • Molecular FormulaC41H68O13
  • Average mass768.971 Da
  • Monoisotopic mass768.466003 Da
  • ChemSpider ID8615602

  • defined stereocentres - 16 of 20 defined stereocentres

More details:

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

(3β,5ξ,6α,8ξ,9β,16β,20ξ)-16,25-Dihydroxy-3-(β-D-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-yl 2-deoxy-β-D-arabino-hexopyranoside [ACD/IUPAC Name]
(3β,5ξ,6α,8ξ,9β,16β,20ξ)-16,25-Dihydroxy-3-(β-D-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-yl-2-desoxy-β-D-arabino-hexopyranosid [German] [ACD/IUPAC Name]
2-Désoxy-β-D-arabino-hexopyranoside de (3β,5ξ,6α,8ξ,9β,16β,20ξ)-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-20,24-époxy-9,19-cyclolanostan-6-yle [French] [ACD/IUPAC Name]
β-D-arabino-Hexopyranoside, (3β,5ξ,6α,8ξ,9β,16β,20ξ)-20,24-epoxy-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl 2-deoxy- [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: 878.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.0±6.0 kJ/mol
Flash Point: 485.0±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 196.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.24
ACD/KOC (pH 5.5): 288.93
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.24
ACD/KOC (pH 7.4): 288.93
Polar Surface Area: 208 Å2
Polarizability: 77.8±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 564.8±5.0 cm3

Click to predict properties on the Chemicalize site


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