ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbutyl)-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside | C27H32O10

5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbutyl)-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC27H32O10
  • Average mass516.537 Da
  • Monoisotopic mass516.199524 Da
  • ChemSpider ID5254665

  • 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-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbutyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbutyl)-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbutyl)-4-oxo-4H-chromen-3-yl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranoside de 5,7-dihydroxy-2-(4-méthoxyphényl)-8-(3-méthylbutyl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
7CA
ICARISID II

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

Density: 1.4±0.1 g/cm3
Boiling Point: 749.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 249.5±26.4 °C
Index of Refraction: 1.651
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 278.32
ACD/KOC (pH 5.5): 1870.52
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 17.11
ACD/KOC (pH 7.4): 115.00
Polar Surface Area: 155 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 73.6±5.0 dyne/cm
Molar Volume: 358.6±5.0 cm3

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