ChemSpider 2D Image | 3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-3-O-beta-L-glucopyranosyl-alpha-L-mannopyranoside | C27H30O16

3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-3-O-β-L-glucopyranosyl-α-L-mannopyranoside

  • Molecular FormulaC27H30O16
  • Average mass610.518 Da
  • Monoisotopic mass610.153381 Da
  • ChemSpider ID24647836
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-3-O-β-L-glucopyranosyl-α-L-mannopyranoside [ACD/IUPAC Name]
3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-6-desoxy-3-O-β-L-glucopyranosyl-α-L-mannopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[(6-deoxy-3-O-β-L-glucopyranosyl-α-L-mannopyranosyl)oxy]-3,5,8-trihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
6-Désoxy-3-O-β-L-glucopyranosyl-α-L-mannopyranoside de 3,5,8-trihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 994.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.9±3.0 kJ/mol
Flash Point: 329.1±27.8 °C
Index of Refraction: 1.765
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -2.25
ACD/LogD (pH 5.5): -2.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.74
ACD/LogD (pH 7.4): -2.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 125.2±5.0 dyne/cm
Molar Volume: 334.2±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement