ChemSpider 2D Image | Farrerol | C28H34O14

Farrerol

  • Molecular FormulaC28H34O14
  • Average mass594.561 Da
  • Monoisotopic mass594.194885 Da
  • ChemSpider ID9268315
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(2S)-5-Hydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
(2S)-5-Hydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-β-D-glucopyranoside
(2S)-5-Hydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-7-[[6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl]oxy]-, (2S)- [ACD/Index Name]
6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de (2S)-5-hydroxy-2-(4-hydroxyphényl)-6,8-diméthyl-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
Farrerol
Miconioside B
MFCD00017315 [MDL number]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 949.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.8±3.0 kJ/mol
Flash Point: 313.1±27.8 °C
Index of Refraction: 1.704
Molar Refractivity: 140.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 2.06
ACD/KOC (pH 5.5): 58.29
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.50
ACD/KOC (pH 7.4): 42.39
Polar Surface Area: 225 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 99.7±5.0 dyne/cm
Molar Volume: 361.5±5.0 cm3

Click to predict properties on the Chemicalize site






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