ChemSpider 2D Image | 3,7,8-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-5-yl 6-O-acetyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C30H34O18

3,7,8-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-5-yl 6-O-acetyl-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC30H34O18
  • Average mass682.580 Da
  • Monoisotopic mass682.174500 Da
  • ChemSpider ID22936707

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3,7,8-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-5-yl 6-O-acetyl-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
3,7,8-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-5-yl-6-O-acetyl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5-[[6-O-acetyl-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-3,7,8-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)- [ACD/Index Name]
6-O-Acétyl-2-O-(6-désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 3,7,8-trihydroxy-2-(4-hydroxy-3-méthoxyphényl)-4-oxo-4H-chromén-5-yle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 990.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.2±3.0 kJ/mol
Flash Point: 318.8±27.8 °C
Index of Refraction: 1.713
Molar Refractivity: 154.1±0.4 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.06
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.07
ACD/LogD (pH 7.4): -1.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 281 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 107.3±5.0 dyne/cm
Molar Volume: 393.1±5.0 cm3

Click to predict properties on the Chemicalize site


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