ChemSpider 2D Image | (4S)-3-{N-[(6-Oxo-2-piperidinyl)carbonyl]histidyl}-1,3-thiazolidine-4-carboximidic acid | C16H22N6O4S

(4S)-3-{N-[(6-Oxo-2-piperidinyl)carbonyl]histidyl}-1,3-thiazolidine-4-carboximidic acid

  • Molecular FormulaC16H22N6O4S
  • Average mass394.449 Da
  • Monoisotopic mass394.142334 Da
  • ChemSpider ID68025329

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(4S)-3-{N-[(6-Oxo-2-piperidinyl)carbonyl]histidyl}-1,3-thiazolidin-4-carboximidsäure [German] [ACD/IUPAC Name]
(4S)-3-{N-[(6-Oxo-2-piperidinyl)carbonyl]histidyl}-1,3-thiazolidine-4-carboximidic acid [ACD/IUPAC Name]
4-Thiazolidinecarboximidic acid, 3-[3-(1H-imidazol-5-yl)-1-oxo-2-[[(6-oxo-2-piperidinyl)carbonyl]amino]propyl]-, (4S)- [ACD/Index Name]
Acide (4S)-3-{N-[(6-oxo-2-pipéridinyl)carbonyl]histidyl}-1,3-thiazolidine-4-carboximidique [French] [ACD/IUPAC Name]
MK771

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.775
Molar Refractivity: 97.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.18
ACD/LogD (pH 5.5): -5.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 79.4±7.0 dyne/cm
Molar Volume: 234.6±7.0 cm3

Click to predict properties on the Chemicalize site


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