ChemSpider 2D Image | Benzyl 1-O-[(2S)-2-(6-methoxy-2-naphthyl)propanoyl]-beta-D-glucopyranuronate | C27H28O9

Benzyl 1-O-[(2S)-2-(6-methoxy-2-naphthyl)propanoyl]-β-D-glucopyranuronate

  • Molecular FormulaC27H28O9
  • Average mass496.506 Da
  • Monoisotopic mass496.173340 Da
  • ChemSpider ID57262530

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1-O-[(2S)-2-(6-Méthoxy-2-naphtyl)propanoyl]-β-D-glucopyranuronate de benzyle [French] [ACD/IUPAC Name]
Benzyl 1-O-[(2S)-2-(6-methoxy-2-naphthyl)propanoyl]-β-D-glucopyranuronate [ACD/IUPAC Name]
Benzyl-1-O-[(2S)-2-(6-methoxy-2-naphthyl)propanoyl]-β-D-glucopyranuronat [German] [ACD/IUPAC Name]
β-D-Glucopyranuronic acid, 1-O-[(2S)-2-(6-methoxy-2-naphthalenyl)-1-oxopropyl]-, phenylmethyl ester [ACD/Index Name]
(2S,3S,4S,5R,6S)-Benzyl 3,4,5-trihydroxy-6-(((S)-2-(6-methoxynaphthalen-2-yl)propanoyl)oxy)tetrahydro-2H-pyran-2-carboxylate
(S)-NAPROXEN ACYL-β-D-GLUCURONIDE BENZYL ESTER
946517-36-8 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 661.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 219.7±25.0 °C
Index of Refraction: 1.647
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 240.73
ACD/KOC (pH 5.5): 1763.22
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 240.72
ACD/KOC (pH 7.4): 1763.17
Polar Surface Area: 132 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 356.8±5.0 cm3

Click to predict properties on the Chemicalize site


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