ChemSpider 2D Image | (3beta,5alpha,25S)-Spirosolan-3-yl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside | C50H83NO21

(3β,5α,25S)-Spirosolan-3-yl β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside

  • Molecular FormulaC50H83NO21
  • Average mass1034.188 Da
  • Monoisotopic mass1033.545776 Da
  • ChemSpider ID76962580

  • defined stereocentres - 30 of 31 defined stereocentres

More details:

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

(3β,5α,25S)-Spirosolan-3-yl β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,5α,25S)-Spirosolan-3-yl-β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->4)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside, (3β,5α,25S)-spirosolan-3-yl O-β-D-glucopyranosyl-(1->2)-O-[β-D-xylopyranosyl-(1->3)]-O-β-D-glucopyranosyl-(1->4)- [ACD/Index Name]
β-D-Glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside de (3β,5α,25S)-spirosolan-3-yle [ACD/IUPAC Name]
β-D-Glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside de (3β,5α,25S)-spirosolan-3-yle [French] [ACD/IUPAC Name]
17406-45-0 [RN]
TOMATINE

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: 1.638
Molar Refractivity: 250.3±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.22
ACD/LogD (pH 5.5): -1.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.07
Polar Surface Area: 338 Å2
Polarizability: 99.2±0.5 10-24cm3
Surface Tension: 80.6±5.0 dyne/cm
Molar Volume: 696.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement