ChemSpider 2D Image | 1-O-[(2R)-2-(6-Methoxy-2-naphthyl)propanoyl]-beta-L-glucopyranuronic acid | C20H22O9

1-O-[(2R)-2-(6-Methoxy-2-naphthyl)propanoyl]-β-L-glucopyranuronic acid

  • Molecular FormulaC20H22O9
  • Average mass406.383 Da
  • Monoisotopic mass406.126373 Da
  • ChemSpider ID28475223

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1-O-[(2R)-2-(6-Methoxy-2-naphthyl)propanoyl]-β-L-glucopyranuronic acid [ACD/IUPAC Name]
1-O-[(2R)-2-(6-Methoxy-2-naphthyl)propanoyl]-β-L-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-[(2R)-2-(6-méthoxy-2-naphtyl)propanoyl]-β-L-glucopyranuronique [French] [ACD/IUPAC Name]
β-L-Glucopyranuronic acid, 1-O-[(2R)-2-(6-methoxy-2-naphthalenyl)-1-oxopropyl]- [ACD/Index Name]
112828-15-6 [RN]
1-O-[(2R)-2-(6-Methoxynaphthalen-2-yl)propanoyl]-β-L-glucopyranuronic acid
b-D-Glucopyranuronic acid, 1-[(aR)-6-methoxy-a-methyl-2-naphthaleneacetate]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 642.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 227.6±25.0 °C
Index of Refraction: 1.652
Molar Refractivity: 100.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 75.1±5.0 dyne/cm
Molar Volume: 273.5±5.0 cm3

Click to predict properties on the Chemicalize site


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