ChemSpider 2D Image | (3beta,15alpha,17xi,22E)-15,21-Dihydroxycholesta-5,22-dien-3-yl beta-D-galactopyranosyl-(1->4)-[beta-D-galactopyranosyl-(1->2)-beta-D-arabinopyranosyl-(1->3)]-beta-D-glucopyranoside | C50H82O22

(3β,15α,17ξ,22E)-15,21-Dihydroxycholesta-5,22-dien-3-yl β-D-galactopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->2)-β-D-arabinopyranosyl-(1->3)]-β-D-glucopyranoside

  • Molecular FormulaC50H82O22
  • Average mass1035.173 Da
  • Monoisotopic mass1034.529785 Da
  • ChemSpider ID9117333

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 27 of 28 defined stereocentres

More details:

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

(3β,15α,17ξ,22E)-15,21-Dihydroxycholesta-5,22-dien-3-yl β-D-galactopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->2)-β-D-arabinopyranosyl-(1->3)]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,15α,17ξ,22E)-15,21-Dihydroxycholesta-5,22-dien-3-yl-β-D-galactopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->2)-β-D-arabinopyranosyl-(1->3)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->2)-β-D-arabinopyranosyl-(1->3)]-β-D-glucopyranoside de (3β,15α,17ξ,22E)-15,21-dihydroxycholesta-5,22-dién-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,15α,17ξ,22E)-15,21-dihydroxycholesta-5,22-dien-3-yl O-β-D-galactopyranosyl-(1->4)-O-[O-β-D-galactopyranosyl-(1->2)-β-D-arabinopyranosyl-(1->3)]- [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: 1142.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 190.3±6.0 kJ/mol
Flash Point: 644.6±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 251.7±0.4 cm3
#H bond acceptors: 22
#H bond donors: 14
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 0.58
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.68
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.68
Polar Surface Area: 357 Å2
Polarizability: 99.8±0.5 10-24cm3
Surface Tension: 82.0±5.0 dyne/cm
Molar Volume: 700.4±5.0 cm3

Click to predict properties on the Chemicalize site


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