ChemSpider 2D Image | 4,5-Dihydroxy-2-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-4H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C30H38O16

4,5-Dihydroxy-2-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-4H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC30H38O16
  • Average mass654.613 Da
  • Monoisotopic mass654.216003 Da
  • ChemSpider ID5293241

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

4,5-Dihydroxy-2-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-4H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
4,5-Dihydroxy-2-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-4H-chromen-7-yl-6-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 4,5-dihydroxy-2-[3-(2-hydroxyéthoxy)-4-méthoxyphényl]-4H-chromén-7-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4,5-dihydroxy-2-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-4H-1-benzopyran-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)- [ACD/Index Name]

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

F-117 [DBID]

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

Density: 1.6±0.0 g/cm3
Boiling Point: 904.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 137.7±0.0 kJ/mol
Flash Point: 500.5±0.0 °C
Index of Refraction: 1.695
Molar Refractivity: 154.1±0.0 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 0.12
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.48
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.57
Polar Surface Area: 247 Å2
Polarizability: 61.1±0.0 10-24cm3
Surface Tension: 97.0±0.0 dyne/cm
Molar Volume: 400.9±0.0 cm3

Click to predict properties on the Chemicalize site


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