ChemSpider 2D Image | (3S)-6-Hydroxy-3-(4-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromen-8-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C28H34O14

(3S)-6-Hydroxy-3-(4-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromen-8-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC28H34O14
  • Average mass594.561 Da
  • Monoisotopic mass594.194885 Da
  • ChemSpider ID9236172
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(3S)-6-Hydroxy-3-(4-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromen-8-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3S)-6-Hydroxy-3-(4-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromen-8-yl-6-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
1H-2-Benzopyran-1-one, 8-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-3,4-dihydro-6-hydroxy-3-(4-methoxyphenyl)-, (3S)- [ACD/Index Name]
6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (3S)-6-hydroxy-3-(4-méthoxyphényl)-1-oxo-3,4-dihydro-1H-isochromén-8-yle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 935.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.6±3.0 kJ/mol
Flash Point: 308.5±27.8 °C
Index of Refraction: 1.678
Molar Refractivity: 140.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.48
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.34
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.48
Polar Surface Area: 214 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 89.8±5.0 dyne/cm
Molar Volume: 372.6±5.0 cm3

Click to predict properties on the Chemicalize site






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