ChemSpider 2D Image | L-milnacipran carbamoyl O-glucuronide | C22H30N2O9

L-milnacipran carbamoyl O-glucuronide

  • Molecular FormulaC22H30N2O9
  • Average mass466.482 Da
  • Monoisotopic mass466.195129 Da
  • ChemSpider ID52084258

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

1446438-98-7 [RN]
1-O-({[(1R,2S)-2-(Diethylcarbamoyl)-2-phenylcyclopropyl]methyl}carbamoyl)-β-D-glucopyranuronic acid [ACD/IUPAC Name]
1-O-({[(1R,2S)-2-(Diethylcarbamoyl)-2-phenylcyclopropyl]methyl}carbamoyl)-β-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-({[(1R,2S)-2-(diéthylcarbamoyl)-2-phénylcyclopropyl]méthyl}carbamoyl)-β-D-glucopyranuronique [French] [ACD/IUPAC Name]
L-milnacipran carbamoyl O-glucuronide
β-D-Glucopyranuronic acid, 1-[[[(1R,2S)-2-[(diethylamino)carbonyl]-2-phenylcyclopropyl]methyl]carbamate] [ACD/Index Name]
MILNACIPRAN CARBAMOYL O-GLUCURONIDE, L-

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

7QCI92WN4P [DBID]
UNII:7QCI92WN4P [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 736.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 399.4±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 114.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.56
ACD/LogD (pH 5.5): -2.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 73.4±5.0 dyne/cm
Molar Volume: 324.1±5.0 cm3

Click to predict properties on the Chemicalize site


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