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ChemSpider 2D Image | 3,5-Dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl 2-O-(6-deoxy-alpha-D-mannopyranosyl)-beta-L-mannopyranoside | C28H36O15

3,5-Dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl 2-O-(6-deoxy-α-D-mannopyranosyl)-β-L-mannopyranoside

  • Molecular FormulaC28H36O15
  • Average mass612.576 Da
  • Monoisotopic mass612.205444 Da
  • ChemSpider ID22902964
  • defined stereocentres - 1 of 10 defined stereocentres

More details:

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

1-Propanone, 1-[4-[[2-O-(6-deoxy-α-D-mannopyranosyl)-β-L-mannopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)- [ACD/Index Name]
2-O-(6-Désoxy-α-D-mannopyranosyl)-β-L-mannopyranoside de 3,5-dihydroxy-4-[3-(3-hydroxy-4-méthoxyphényl)propanoyl]phényle [French] [ACD/IUPAC Name]
3,5-Dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl 2-O-(6-deoxy-α-D-mannopyranosyl)-β-L-mannopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl-2-O-(6-desoxy-α-D-mannopyranosyl)-β-L-mannopyranosid [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 927.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.3±3.0 kJ/mol
Flash Point: 302.6±27.8 °C
Index of Refraction: 1.684
Molar Refractivity: 143.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 3.14
ACD/KOC (pH 5.5): 78.40
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.02
ACD/KOC (pH 7.4): 25.44
Polar Surface Area: 245 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 97.5±5.0 dyne/cm
Molar Volume: 378.8±5.0 cm3

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