ChemSpider 2D Image | (2S)-2-Ammonio-5-({(2R)-1-[(carboxylatomethyl)amino]-3-[(2,5-dihydroxyphenyl)sulfanyl]-1-oxo-2-propanyl}amino)-5-oxopentanoate | C16H20N3O8S

(2S)-2-Ammonio-5-({(2R)-1-[(carboxylatomethyl)amino]-3-[(2,5-dihydroxyphenyl)sulfanyl]-1-oxo-2-propanyl}amino)-5-oxopentanoate

  • Molecular FormulaC16H20N3O8S
  • Average mass414.411 Da
  • Monoisotopic mass414.097656 Da
  • ChemSpider ID76962822

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-Ammonio-5-({(2R)-1-[(carboxylatomethyl)amino]-3-[(2,5-dihydroxyphenyl)sulfanyl]-1-oxo-2-propanyl}amino)-5-oxopentanoat [German] [ACD/IUPAC Name]
(2S)-2-Ammonio-5-({(2R)-1-[(carboxylatomethyl)amino]-3-[(2,5-dihydroxyphenyl)sulfanyl]-1-oxo-2-propanyl}amino)-5-oxopentanoate [ACD/IUPAC Name]
(2S)-2-Ammonio-5-({(2R)-1-[(carboxylatométhyl)amino]-3-[(2,5-dihydroxyphényl)sulfanyl]-1-oxo-2-propanyl}amino)-5-oxopentanoate [French] [ACD/IUPAC Name]
Glycine, L-γ-glutamyl-S-(2,5-dihydroxyphenyl)-L-cysteinyl-, inner salt, ion(1-) [ACD/Index Name]
(2S)-2-azaniumyl-5-({(2R)-1-[(carboxylatomethyl)amino]-3-[(2,5-dihydroxyphenyl)sulfanyl]-1-oxopropan-2-yl}amino)-5-oxopentanoate

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

Density:
Boiling Point: 887.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.2±3.0 kJ/mol
Flash Point: 490.7±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -1.03
ACD/LogD (pH 5.5): -4.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 232 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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