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

3,5,8-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-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 ID10420444

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

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

Density: 1.7±0.1 g/cm3
Boiling Point: 973.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.6±3.0 kJ/mol
Flash Point: 313.3±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: 0.73
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.07
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.70
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


Advertisement