ChemSpider 2D Image | (3beta,9xi,14xi,16xi,17xi)-Spirost-5-en-3-yl alpha-L-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-2-O-acetyl-beta-D-galactopyranoside | C52H82O23

(3β,9ξ,14ξ,16ξ,17ξ)-Spirost-5-en-3-yl α-L-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->4)-2-O-acetyl-β-D-galactopyranoside

  • Molecular FormulaC52H82O23
  • Average mass1075.194 Da
  • Monoisotopic mass1074.524658 Da
  • ChemSpider ID10025717

  • defined stereocentres - 25 of 30 defined stereocentres

More details:

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

(3β,9ξ,14ξ,16ξ,17ξ)-Spirost-5-en-3-yl α-L-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->4)-2-O-acetyl-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,9ξ,14ξ,16ξ,17ξ)-Spirost-5-en-3-yl-α-L-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->4)-2-O-acetyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
α-L-Glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->4)-2-O-acétyl-β-D-galactopyranoside de (3β,9ξ,14ξ,16ξ,17ξ)-spirost-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (3β,9ξ,14ξ,16ξ,17ξ)-spirost-5-en-3-yl O-α-L-glucopyranosyl-(1->2)-O-[β-D-xylopyranosyl-(1->3)]-O-β-D-glucopyranosyl-(1->4)-, 2-acetate [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.630
Molar Refractivity: 257.7±0.4 cm3
#H bond acceptors: 23
#H bond donors: 11
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 60.30
ACD/KOC (pH 5.5): 654.18
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 60.30
ACD/KOC (pH 7.4): 654.17
Polar Surface Area: 341 Å2
Polarizability: 102.2±0.5 10-24cm3
Surface Tension: 77.9±5.0 dyne/cm
Molar Volume: 724.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement