ChemSpider 2D Image | (2R,4S)-5-(beta-D-threo-Hexopyranosyloxy)-4-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-yl beta-D-threo-hexopyranoside | C31H42O15

(2R,4S)-5-(β-D-threo-Hexopyranosyloxy)-4-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-yl β-D-threo-hexopyranoside

  • Molecular FormulaC31H42O15
  • Average mass654.656 Da
  • Monoisotopic mass654.252380 Da
  • ChemSpider ID24842595

  • defined stereocentres - 8 of 12 defined stereocentres

More details:

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

(2R,4S)-5-(β-D-threo-Hexopyranosyloxy)-4-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-yl β-D-threo-hexopyranoside [ACD/IUPAC Name]
(2R,4S)-5-(β-D-threo-Hexopyranosyloxy)-4-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-yl-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
β-D-thréo-Hexopyranoside de (2R,4S)-5-(β-D-thréo-hexopyranosyloxy)-4-méthoxy-2-(4-méthoxyphényl)-6,8-diméthyl-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
β-D-threo-Hexopyranoside, (2R,4S)-5-(β-D-threo-hexopyranosyloxy)-3,4-dihydro-4-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-2H-1-benzopyran-7-yl [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: 864.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.6±3.0 kJ/mol
Flash Point: 476.5±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 157.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.10
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.22
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.22
Polar Surface Area: 226 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 84.4±5.0 dyne/cm
Molar Volume: 426.7±5.0 cm3

Click to predict properties on the Chemicalize site


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