ChemSpider 2D Image | (2S)-2-Hydroxy-N-[(6aR)-11-hydroxy-3,6a-dimethyl-9-oxo-6a,7,8,9-tetrahydropyrrolo[1,2-i][1,7]phenanthrolin-12-yl]propanamide | C20H21N3O4

(2S)-2-Hydroxy-N-[(6aR)-11-hydroxy-3,6a-dimethyl-9-oxo-6a,7,8,9-tetrahydropyrrolo[1,2-i][1,7]phenanthrolin-12-yl]propanamide

  • Molecular FormulaC20H21N3O4
  • Average mass367.398 Da
  • Monoisotopic mass367.153198 Da
  • ChemSpider ID35517095

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-Hydroxy-N-[(6aR)-11-hydroxy-3,6a-dimethyl-9-oxo-6a,7,8,9-tetrahydropyrrolo[1,2-i][1,7]phenanthrolin-12-yl]propanamid [German] [ACD/IUPAC Name]
(2S)-2-Hydroxy-N-[(6aR)-11-hydroxy-3,6a-dimethyl-9-oxo-6a,7,8,9-tetrahydropyrrolo[1,2-i][1,7]phenanthrolin-12-yl]propanamide [ACD/IUPAC Name]
(2S)-2-Hydroxy-N-[(6aR)-11-hydroxy-3,6a-diméthyl-9-oxo-6a,7,8,9-tétrahydropyrrolo[1,2-i][1,7]phénanthrolin-12-yl]propanamide [French] [ACD/IUPAC Name]
Propanamide, 2-hydroxy-N-[(6aR)-6a,7,8,9-tetrahydro-11-hydroxy-3,6a-dimethyl-9-oxopyrrolo[1,2-i][1,7]phenanthrolin-12-yl]-, (2S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 653.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 349.2±31.5 °C
Index of Refraction: 1.713
Molar Refractivity: 99.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 4.94
ACD/KOC (pH 5.5): 104.92
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.35
ACD/KOC (pH 7.4): 113.70
Polar Surface Area: 103 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 79.7±5.0 dyne/cm
Molar Volume: 254.2±5.0 cm3

Click to predict properties on the Chemicalize site


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