ChemSpider 2D Image | (1alpha,3alpha,8alpha,9beta,10alpha,13alpha,14beta,16beta,17beta,20R,22S,25S)-3-Hydroxyspirost-5-en-1-yl beta-L-glucopyranosyl-(1->2)-[beta-L-xylopyranosyl-(1->3)]-6-deoxy-beta-L-galactopyranoside | C44H70O17

(1α,3α,8α,9β,10α,13α,14β,16β,17β,20R,22S,25S)-3-Hydroxyspirost-5-en-1-yl β-L-glucopyranosyl-(1->2)-[β-L-xylopyranosyl-(1->3)]-6-deoxy-β-L-galactopyranoside

  • Molecular FormulaC44H70O17
  • Average mass871.016 Da
  • Monoisotopic mass870.461304 Da
  • ChemSpider ID82964530

  • defined stereocentres - 26 of 26 defined stereocentres

More details:

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

(1α,3α,8α,9β,10α,13α,14β,16β,17β,20R,22S,25S)-3-Hydroxyspirost-5-en-1-yl β-L-glucopyranosyl-(1->2)-[β-L-xylopyranosyl-(1->3)]-6-deoxy-β-L-galactopyranoside [ACD/IUPAC Name]
(1α,3α,8α,9β,10α,13α,14β,16β,17β,20R,22S,25S)-3-Hydroxyspirost-5-en-1-yl-β-L-glucopyranosyl-(1->2)-[β-L-xylopyranosyl-(1->3)]-6-desoxy-β-L-galactopyranosid [German] [ACD/IUPAC Name]
β-L-Galactopyranoside, (1α,3α,8α,9β,10α,13α,14β,16β,17β,20β,22S,25S)-3-hydroxyspirost-5-en-1-yl O-β-L-glucopyranosyl-(1->2)-O-[β-L-xylopyranosyl-(1->3)]-6-d ;eoxy- [ACD/Index Name]
β-L-Glucopyranosyl-(1->2)-[β-L-xylopyranosyl-(1->3)]-6-désoxy-β-L-galactopyranoside de (1α,3α,8α,9β,10α,13α,14β,16β,17β,20R,22S,25S)-3-hydroxyspirost-5-én-1-yl 
e [French] [ACD/IUPAC Name]
130551-41-6 [RN]

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: 1.627
Molar Refractivity: 214.4±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.68
ACD/KOC (pH 5.5): 271.79
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.68
ACD/KOC (pH 7.4): 271.79
Polar Surface Area: 256 Å2
Polarizability: 85.0±0.5 10-24cm3
Surface Tension: 73.1±5.0 dyne/cm
Molar Volume: 605.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement