ChemSpider 2D Image | N-[(6-Methyl-5-oxo-3-thiomorpholinyl)carbonyl]-L-histidyl-D-prolinamide | C17H24N6O4S

N-[(6-Methyl-5-oxo-3-thiomorpholinyl)carbonyl]-L-histidyl-D-prolinamide

  • Molecular FormulaC17H24N6O4S
  • Average mass408.475 Da
  • Monoisotopic mass408.157959 Da
  • ChemSpider ID23125859

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

D-Prolinamide, N-[(6-methyl-5-oxo-3-thiomorpholinyl)carbonyl]-L-histidyl- [ACD/Index Name]
N-[(6-Methyl-5-oxo-3-thiomorpholinyl)carbonyl]-L-histidyl-D-prolinamid [German] [ACD/IUPAC Name]
N-[(6-Methyl-5-oxo-3-thiomorpholinyl)carbonyl]-L-histidyl-D-prolinamide [ACD/IUPAC Name]
N-[(6-Méthyl-5-oxo-3-thiomorpholinyl)carbonyl]-L-histidyl-D-prolinamide [French] [ACD/IUPAC Name]
N-[(6-methyl-5-oxothiomorpholin-3-yl)carbonyl]-L-histidyl-D-prolinamide
(3R,6R)-6-Methyl-5-oxo-thiomorpholine-3-carboxylic acid [2-(2-carbamoyl-pyrrolidin-1-yl)-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]-amide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 994.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.2±3.0 kJ/mol
Flash Point: 555.1±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.72
ACD/LogD (pH 5.5): -2.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.89
Polar Surface Area: 176 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 68.5±3.0 dyne/cm
Molar Volume: 292.1±3.0 cm3

Click to predict properties on the Chemicalize site


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