ChemSpider 2D Image | (2S)-5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-D-galactopyranosyl)-beta-D-glucopyranoside | C27H32O14

(2S)-5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-α-D-galactopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC27H32O14
  • Average mass580.535 Da
  • Monoisotopic mass580.179199 Da
  • ChemSpider ID4447695
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(2S)-5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-α-D-galactopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(2S)-5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl-2-O-(6-desoxy-α-D-galactopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-D-galactopyranosyl)-β-D-glucopyranoside de (2S)-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-D-galactopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)- [ACD/Index Name]
(2S)-7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

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

Density: 1.7±0.1 g/cm3
Boiling Point: 928.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.4±3.0 kJ/mol
Flash Point: 308.5±27.8 °C
Index of Refraction: 1.708
Molar Refractivity: 135.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.14
ACD/KOC (pH 5.5): 38.03
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.21
Polar Surface Area: 225 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 101.3±5.0 dyne/cm
Molar Volume: 347.8±5.0 cm3

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