ChemSpider 2D Image | (1S)-1,5-Anhydro-2-O-beta-D-threo-hexopyranosyl-1-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-threo-hexitol | C29H34O15

(1S)-1,5-Anhydro-2-O-β-D-threo-hexopyranosyl-1-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-threo-hexitol

  • Molecular FormulaC29H34O15
  • Average mass622.571 Da
  • Monoisotopic mass622.189758 Da
  • ChemSpider ID24843983

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-2-O-β-D-threo-hexopyranosyl-1-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-threo-hexitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-β-D-threo-hexopyranosyl-1-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-threo-hexitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-β-D-thréo-hexopyranosyl-1-[5-hydroxy-7-méthoxy-2-(4-méthoxyphényl)-4-oxo-4H-chromén-6-yl]-D-thréo-hexitol [French] [ACD/IUPAC Name]
D-threo-Hexitol, 1,5-anhydro-2-O-β-D-threo-hexopyranosyl-1-C-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-, (1S)- [ACD/Index Name]
EMBINOIDIN

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

Density: 1.6±0.1 g/cm3
Boiling Point: 877.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.5±3.0 kJ/mol
Flash Point: 285.8±27.8 °C
Index of Refraction: 1.702
Molar Refractivity: 146.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.01
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.70
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 234 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 97.7±5.0 dyne/cm
Molar Volume: 377.9±5.0 cm3

Click to predict properties on the Chemicalize site


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