ChemSpider 2D Image | (2S)-5-Hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-threo-hexopyranoside | C30H36O14

(2S)-5-Hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-β-D-threo-hexopyranoside

  • Molecular FormulaC30H36O14
  • Average mass620.598 Da
  • Monoisotopic mass620.210510 Da
  • ChemSpider ID24846415

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

(2S)-5-Hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-β-D-threo-hexopyranoside [ACD/IUPAC Name]
(2S)-5-Hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl-6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
6-O-(4-Carboxy-3-hydroxy-3-méthylbutanoyl)-β-D-thréo-hexopyranoside de (2S)-5-hydroxy-2-(4-méthoxyphényl)-6,8-diméthyl-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
β-D-threo-Hexopyranoside, (2S)-3,4-dihydro-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-2H-1-benzopyran-7-yl, 6-(4-carboxy-3-hydroxy-3-methylbutanoate) [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 916.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.6±3.0 kJ/mol
Flash Point: 296.6±27.8 °C
Index of Refraction: 1.618
Molar Refractivity: 149.6±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.13
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 219 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 69.2±3.0 dyne/cm
Molar Volume: 427.2±3.0 cm3

Click to predict properties on the Chemicalize site


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