ChemSpider 2D Image | 1-O-{N-[(4-Isopropylcyclohexyl)carbonyl]-L-phenylalanyl}-beta-L-glucopyranuronic acid | C25H35NO9

1-O-{N-[(4-Isopropylcyclohexyl)carbonyl]-L-phenylalanyl}-β-L-glucopyranuronic acid

  • Molecular FormulaC25H35NO9
  • Average mass493.547 Da
  • Monoisotopic mass493.231171 Da
  • ChemSpider ID57530467

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

1-O-{N-[(4-Isopropylcyclohexyl)carbonyl]-L-phenylalanyl}-β-L-glucopyranuronic acid [ACD/IUPAC Name]
1-O-{N-[(4-Isopropylcyclohexyl)carbonyl]-L-phenylalanyl}-β-L-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-{N-[(4-isopropylcyclohexyl)carbonyl]-L-phénylalanyl}-β-L-glucopyranuronique [French] [ACD/IUPAC Name]
β-L-Glucopyranuronic acid, 1-O-[N-[[4-(1-methylethyl)cyclohexyl]carbonyl]-L-phenylalanyl]- [ACD/Index Name]
1357003-01-0 [RN]
1-O-{N-[4-(Propan-2-yl)cyclohexane-1-carbonyl]-L-phenylalanyl}-β-L-glucopyranuronic acid
Ent-Nateglinide Acyl-|A-D-glucuronide
ent-Nateglinide Acyl-β-D-glucuronide
ent-Nateglinide Acyl-β-D-glucuronide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 731.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 395.9±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 124.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.93
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 367.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement