ChemSpider 2D Image | 2-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]benzyl 6-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-3-hydroxy-2-methoxybenzoate | C27H34O14

2-[(6-Deoxy-α-L-mannopyranosyl)oxy]benzyl 6-[(6-deoxy-α-L-mannopyranosyl)oxy]-3-hydroxy-2-methoxybenzoate

  • Molecular FormulaC27H34O14
  • Average mass582.550 Da
  • Monoisotopic mass582.194885 Da
  • ChemSpider ID31129907

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-[(6-Deoxy-α-L-mannopyranosyl)oxy]benzyl 6-[(6-deoxy-α-L-mannopyranosyl)oxy]-3-hydroxy-2-methoxybenzoate [ACD/IUPAC Name]
2-[(6-Desoxy-α-L-mannopyranosyl)oxy]benzyl-6-[(6-desoxy-α-L-mannopyranosyl)oxy]-3-hydroxy-2-methoxybenzoat [German] [ACD/IUPAC Name]
6-[(6-Désoxy-α-L-mannopyranosyl)oxy]-3-hydroxy-2-méthoxybenzoate de 2-[(6-désoxy-α-L-mannopyranosyl)oxy]benzyle [French] [ACD/IUPAC Name]
Benzoic acid, 6-[(6-deoxy-α-L-mannopyranosyl)oxy]-3-hydroxy-2-methoxy-, [2-[(6-deoxy-α-L-mannopyranosyl)oxy]phenyl]methyl ester [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: 844.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.5±3.0 kJ/mol
Flash Point: 277.9±27.8 °C
Index of Refraction: 1.639
Molar Refractivity: 139.4±0.3 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.70
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.55
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.30
Polar Surface Area: 214 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 387.5±3.0 cm3

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