ChemSpider 2D Image | UNII:005443R93J | C22H28N4O7S2

UNII:005443R93J

  • Molecular FormulaC22H28N4O7S2
  • Average mass524.610 Da
  • Monoisotopic mass524.139954 Da
  • ChemSpider ID52083584

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Methionine, N-[4-[[(3R)-1-[3-[[(carboxymethyl)amino]carbonyl]phenyl]-2,5-dioxo-3-pyrrolidinyl]thio]-1-iminobutyl]- [ACD/Index Name]
N-(4-{[(3R)-1-{3-[(Carboxymethyl)carbamoyl]phenyl}-2,5-dioxo-3-pyrrolidinyl]sulfanyl}butanimidoyl)-L-methionin [German] [ACD/IUPAC Name]
N-(4-{[(3R)-1-{3-[(Carboxymethyl)carbamoyl]phenyl}-2,5-dioxo-3-pyrrolidinyl]sulfanyl}butanimidoyl)-L-methionine [ACD/IUPAC Name]
N-(4-{[(3R)-1-{3-[(Carboxyméthyl)carbamoyl]phényl}-2,5-dioxo-3-pyrrolidinyl]sulfanyl}butanimidoyl)-L-méthionine [French] [ACD/IUPAC Name]
UNII:005443R93J

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 132.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -1.05
ACD/LogD (pH 5.5): -3.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 64.2±7.0 dyne/cm
Molar Volume: 355.4±7.0 cm3

Click to predict properties on the Chemicalize site


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