ChemSpider 2D Image | (3beta,5alpha,8xi,9xi,14xi,16xi,17xi,25R)-6-Oxospirostan-3-yl (3xi)-beta-D-threo-pentopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->4)]-beta-D-glucopyranoside | C43H68O17

(3β,5α,8ξ,9ξ,14ξ,16ξ,17ξ,25R)-6-Oxospirostan-3-yl (3ξ)-β-D-threo-pentopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranoside

  • Molecular FormulaC43H68O17
  • Average mass856.990 Da
  • Monoisotopic mass856.445679 Da
  • ChemSpider ID8277626

  • defined stereocentres - 19 of 25 defined stereocentres

More details:

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

(3β,5α,8ξ,9ξ,14ξ,16ξ,17ξ,25R)-6-Oxospirostan-3-yl (3ξ)-β-D-threo-pentopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5α,8ξ,9ξ,14ξ,16ξ,17ξ,25R)-6-Oxospirostan-3-yl-(3ξ)-β-D-threo-pentopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(3ξ)-β-D-thréo-Pentopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranoside de (3β,5α,8ξ,9ξ,14ξ,16ξ,17ξ,25R)-6-oxospirostan-3-yle [French] [ACD/IUPAC Name]
Spirostan-6-one, 3-[[O(3ξ)-β-D-threo-pentopyranosyl-(1->6)-O-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranosyl]oxy]-, (3β,5α,8ξ,9ξ,14ξ,16ξ,17ξ,25R)- [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: 1.619
Molar Refractivity: 208.6±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 9.09
ACD/KOC (pH 5.5): 168.90
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 9.09
ACD/KOC (pH 7.4): 168.90
Polar Surface Area: 253 Å2
Polarizability: 82.7±0.5 10-24cm3
Surface Tension: 72.5±5.0 dyne/cm
Molar Volume: 594.9±5.0 cm3

Click to predict properties on the Chemicalize site


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