ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-beta-D-mannopyranoside | C27H30O10

5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-β-D-mannopyranoside

  • Molecular FormulaC27H30O10
  • Average mass514.521 Da
  • Monoisotopic mass514.183899 Da
  • ChemSpider ID24708206

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-[(6-deoxy-β-D-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-β-D-mannopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl-6-desoxy-β-D-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-β-D-mannopyranoside de 5,7-dihydroxy-2-(4-méthoxyphényl)-8-(3-méthyl-2-butén-1-yl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
113558-15-9 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL497293/
Icariside II

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

Density: 1.5±0.1 g/cm3
Boiling Point: 759.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 253.9±26.4 °C
Index of Refraction: 1.666
Molar Refractivity: 130.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 122.52
ACD/KOC (pH 5.5): 1034.32
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 7.43
ACD/KOC (pH 7.4): 62.75
Polar Surface Area: 155 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 75.8±5.0 dyne/cm
Molar Volume: 351.1±5.0 cm3

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