ChemSpider 2D Image | (2beta,3beta,5beta,25R)-26-(beta-D-Glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 2-O-beta-D-glucopyranosyl-beta-D-galactopyranoside | C45H76O20

(2β,3β,5β,25R)-26-(β-D-Glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 2-O-β-D-glucopyranosyl-β-D-galactopyranoside

  • Molecular FormulaC45H76O20
  • Average mass937.073 Da
  • Monoisotopic mass936.492981 Da
  • ChemSpider ID115284705
  • defined stereocentres - 27 of 28 defined stereocentres


More details:






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

(2β,3β,5β,25R)-26-(β-D-Glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 2-O-β-D-glucopyranosyl-β-D-galactopyranoside [ACD/IUPAC Name]
(2β,3β,5β,25R)-26-(β-D-Glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl-2-O-β-D-glucopyranosyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-galactopyranoside de (2β,3β,5β,25R)-26-(β-D-glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (2β,3β,5β,25R)-26-(β-D-glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,7S,8R,9S,12S,13S,15S,16R,18R)-16-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,15-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
159935-09-8 [RN]
Macrostemonoside J

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1061.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 175.9±6.0 kJ/mol
Flash Point: 595.6±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 225.7±0.4 cm3
#H bond acceptors: 20
#H bond donors: 13
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -1.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.84
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.84
Polar Surface Area: 328 Å2
Polarizability: 89.5±0.5 10-24cm3
Surface Tension: 82.2±5.0 dyne/cm
Molar Volume: 630.4±5.0 cm3

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