ChemSpider 2D Image | (2R,4S)-2-{(1R)-2-Hydroxy-1-[(2-hydroxy-1-naphthoyl)amino]ethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | C19H22N2O5S

(2R,4S)-2-{(1R)-2-Hydroxy-1-[(2-hydroxy-1-naphthoyl)amino]ethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC19H22N2O5S
  • Average mass390.453 Da
  • Monoisotopic mass390.124939 Da
  • ChemSpider ID35034149
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2r,4s)-2-[(1r)-2-Hydroxy-1-{[(2-Hydroxynaphthalen-1-Yl)carbonyl]amino}ethyl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxylic Acid
(2R,4S)-2-{(1R)-2-Hydroxy-1-[(2-hydroxy-1-naphthoyl)amino]ethyl}-5,5-dimethyl-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(2R,4S)-2-{(1R)-2-Hydroxy-1-[(2-hydroxy-1-naphthoyl)amino]ethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 2-[(1R)-2-hydroxy-1-[[(2-hydroxy-1-naphthalenyl)carbonyl]amino]ethyl]-5,5-dimethyl-, (2R,4S)- [ACD/Index Name]
Acide (2R,4S)-2-{(1R)-2-hydroxy-1-[(2-hydroxy-1-naphtoyl)amino]éthyl}-5,5-diméthyl-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 736.5±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: 399.2±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 104.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.78
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.30
Polar Surface Area: 144 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 285.3±3.0 cm3

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