ChemSpider 2D Image | (3beta,5beta,8xi,9xi,16xi,17xi,20xi,25S)-Spirostan-3-yl beta-D-xylopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->4)]-beta-D-glucopyranoside | C43H70O16

(3β,5β,8ξ,9ξ,16ξ,17ξ,20ξ,25S)-Spirostan-3-yl β-D-xylopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranoside

  • Molecular FormulaC43H70O16
  • Average mass843.006 Da
  • Monoisotopic mass842.466370 Da
  • ChemSpider ID17614330

  • defined stereocentres - 20 of 25 defined stereocentres

More details:

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

(3β,5β,8ξ,9ξ,16ξ,17ξ,20ξ,25S)-Spirostan-3-yl β-D-xylopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,16ξ,17ξ,20ξ,25S)-Spirostan-3-yl-β-D-xylopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5β,8ξ,9ξ,16ξ,17ξ,20ξ,25S)-spirostan-3-yl O-β-D-xylopyranosyl-(1->2)-O-[β-D-xylopyranosyl-(1->4)]- [ACD/Index Name]
β-D-Xylopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranoside de (3β,5β,8ξ,9ξ,16ξ,17ξ,20ξ,25S)-spirostan-3-yle [French] [ACD/IUPAC 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: 1.614
Molar Refractivity: 208.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1854.60
ACD/KOC (pH 5.5): 7603.44
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1854.57
ACD/KOC (pH 7.4): 7603.32
Polar Surface Area: 236 Å2
Polarizability: 82.7±0.5 10-24cm3
Surface Tension: 70.0±5.0 dyne/cm
Molar Volume: 598.2±5.0 cm3

Click to predict properties on the Chemicalize site


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