ChemSpider 2D Image | (3R,4R,5R)-3,4-Dihydroxy-5-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-2-pyrrolidinone | C13H18N2O4

(3R,4R,5R)-3,4-Dihydroxy-5-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-2-pyrrolidinone

  • Molecular FormulaC13H18N2O4
  • Average mass266.293 Da
  • Monoisotopic mass266.126648 Da
  • ChemSpider ID24696392

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,4R,5R)-3,4-Dihydroxy-5-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-2-pyrrolidinon [German] [ACD/IUPAC Name]
(3R,4R,5R)-3,4-Dihydroxy-5-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-2-pyrrolidinone [ACD/IUPAC Name]
(3R,4R,5R)-3,4-Dihydroxy-5-({[(1R)-2-hydroxy-1-phényléthyl]amino}méthyl)-2-pyrrolidinone [French] [ACD/IUPAC Name]
(3r,4r,5r)-3,4-Dihydroxy-5-({[(1r)-2-Hydroxy-1-Phenylethyl]amino}methyl)pyrrolidin-2-One
2-Pyrrolidinone, 3,4-dihydroxy-5-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]-, (3R,4R,5R)- [ACD/Index Name]
GB6
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL476925/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 568.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 297.6±30.1 °C
Index of Refraction: 1.614
Molar Refractivity: 68.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.90
ACD/LogD (pH 5.5): -3.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.43
Polar Surface Area: 102 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 197.1±3.0 cm3

Click to predict properties on the Chemicalize site


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