ChemSpider 2D Image | (2S)-5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-erythro-hexopyranosyl)-beta-D-threo-hexopyranoside | C27H32O14

(2S)-5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-α-L-erythro-hexopyranosyl)-β-D-threo-hexopyranoside

  • Molecular FormulaC27H32O14
  • Average mass580.535 Da
  • Monoisotopic mass580.179199 Da
  • ChemSpider ID24846354

  • defined stereocentres - 7 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 6-O-(6-deoxy-α-L-erythro-hexopyranosyl)-β-D-threo-hexopyranoside [ACD/IUPAC Name]
(2S)-5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl-6-O-(6-desoxy-α-L-erythro-hexopyranosyl)-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-erythro-hexopyranosyl)-β-D-threo-hexopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)- [ACD/Index Name]
6-O-(6-Désoxy-α-L-érythro-hexopyranosyl)-β-D-thréo-hexopyranoside de (2S)-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 924.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.8±3.0 kJ/mol
Flash Point: 307.3±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: 2.07
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.94
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.69
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

Click to predict properties on the Chemicalize site


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