ChemSpider 2D Image | (3S,4R)-6-Benzyl-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-2,3,4,6-tetrahydro-5H-pyrano[3,2-c]quinolin-5-one | C25H26N2O4

(3S,4R)-6-Benzyl-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-2,3,4,6-tetrahydro-5H-pyrano[3,2-c]quinolin-5-one

  • Molecular FormulaC25H26N2O4
  • Average mass418.485 Da
  • Monoisotopic mass418.189270 Da
  • ChemSpider ID23131833

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R)-6-Benzyl-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-2,3,4,6-tetrahydro-5H-pyrano[3,2-c]chinolin-5-on [German] [ACD/IUPAC Name]
(3S,4R)-6-Benzyl-3-hydroxy-2,2-diméthyl-4-(2-oxo-1-pyrrolidinyl)-2,3,4,6-tétrahydro-5H-pyrano[3,2-c]quinoléin-5-one [French] [ACD/IUPAC Name]
(3S,4R)-6-Benzyl-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-2,3,4,6-tetrahydro-5H-pyrano[3,2-c]quinolin-5-one [ACD/IUPAC Name]
(3S,4R)-6-benzyl-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-2,3,4,6-tetrahydro-5H-pyrano[3,2-c]quinolin-5-one
5H-Pyrano[3,2-c]quinolin-5-one, 2,3,4,6-tetrahydro-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-6-(phenylmethyl)-, (3S,4R)- [ACD/Index Name]
(3S,4R)-6-Benzyl-3-hydroxy-2,2-dimethyl-4-(2-oxo-pyrrolidin-1-yl)-2,3,4,6-tetrahydro-pyrano[3,2-c]quinolin-5-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 627.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 333.3±31.5 °C
Index of Refraction: 1.674
Molar Refractivity: 116.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 137.76
ACD/KOC (pH 5.5): 1182.45
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 137.75
ACD/KOC (pH 7.4): 1182.44
Polar Surface Area: 70 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 309.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement