ChemSpider 2D Image | Convallamarin | C57H94O27

Convallamarin

  • Molecular FormulaC57H94O27
  • Average mass1211.340 Da
  • Monoisotopic mass1210.598267 Da
  • ChemSpider ID4884540
  • defined stereocentres - 37 of 37 defined stereocentres


More details:






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

(1β,3β,5β,22R)-3-{[6-Deoxy-4-O-(β-D-glucopyranosyl)-β-D-gulopyranosyl]oxy}-26-(β-D-galactopyranosyloxy)-22-hydroxyfurost-25(27)-en-1-yl 6-deoxy-4-O-(6-deoxy-β-D-gulopyranosyl)-bet a-D-allopyranoside [ACD/IUPAC Name]
(1β,3β,5β,22R)-3-{[6-Desoxy-4-O-(β-D-glucopyranosyl)-β-D-gulopyranosyl]oxy}-26-(β-D-galactopyranosyloxy)-22-hydroxyfurost-25(27)-en-1-yl-6-desoxy-4-O-(6-desoxy-β-D-gulopyranosyl)- β-D-allopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-4-O-(6-désoxy-β-D-gulopyranosyl)-β-D-allopyranoside de (1β,3β,5β,22R)-3-{[6-désoxy-4-O-(β-D-glucopyranosyl)-β-D-gulopyranosyl]oxy}-26-(β-D-galactopyranosyloxy)-22-hydr oxyfurost-25(27)-én-1-yle [French] [ACD/IUPAC Name]
Convallamarin [Wiki]
β-D-Allopyranoside, (1β,3β,5β,22β)-3-[(6-deoxy-4-O-β-D-glucopyranosyl-β-D-gulopyranosyl)oxy]-26-(β-D-galactopyranosyloxy)-22-hydroxyfurost-25(27)-en-1-yl 6-deoxy-4-O-(6-deoxy-b η-D-gulopyranosyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 288.1±0.4 cm3
#H bond acceptors: 27
#H bond donors: 16
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -1.30
ACD/LogD (pH 5.5): -2.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.48
ACD/LogD (pH 7.4): -2.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.48
Polar Surface Area: 425 Å2
Polarizability: 114.2±0.5 10-24cm3
Surface Tension: 84.1±5.0 dyne/cm
Molar Volume: 799.0±5.0 cm3

Click to predict properties on the Chemicalize site





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