ChemSpider 2D Image | 2-(3-Hydroxy-4-methoxyphenyl)ethyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C21H32O12

2-(3-Hydroxy-4-methoxyphenyl)ethyl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC21H32O12
  • Average mass476.472 Da
  • Monoisotopic mass476.189362 Da
  • ChemSpider ID28637916

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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2-(3-Hydroxy-4-methoxyphenyl)ethyl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3-Hydroxy-4-methoxyphenyl)ethyl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 2-(3-hydroxy-4-méthoxyphényl)éthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(3-hydroxy-4-methoxyphenyl)ethyl 2-O-(6-deoxy-α-L-mannopyranosyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 730.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 395.3±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 111.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.53
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.28
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.23
Polar Surface Area: 188 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 80.5±5.0 dyne/cm
Molar Volume: 314.7±5.0 cm3

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