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Search term: GJEZZQVPWMCGSB-BJDJZHNGSA-L (Found by InChIKey (full match))

ChemSpider 2D Image | (2S,7R,13R,18S)-2,18-Diammonio-7,13-bis[(carboxylatomethyl)carbamoyl]-5,15-dioxo-9,11-dithia-10-selena-6,14-diazanonadecane-1,19-dioate | C20H30N6O12S2Se


  • Molecular FormulaC20H30N6O12S2Se
  • Average mass689.576 Da
  • Monoisotopic mass690.053955 Da
  • ChemSpider ID28533507
  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,7R,13R,18S)-2,18-Diammonio-7,13-bis[(carboxylatomethyl)carbamoyl]-5,15-dioxo-9,11-dithia-10-selena-6,14-diazanonadecan-1,19-dioat [German] [ACD/IUPAC Name]
(2S,7R,13R,18S)-2,18-Diammonio-7,13-bis[(carboxylatomethyl)carbamoyl]-5,15-dioxo-9,11-dithia-10-selena-6,14-diazanonadecane-1,19-dioate [ACD/IUPAC Name]
(2S,7R,13R,18S)-2,18-Diammonio-7,13-bis[(carboxylatométhyl)carbamoyl]-5,15-dioxo-9,11-dithia-10-séléna-6,14-diazanonadécane-1,19-dioate [French] [ACD/IUPAC Name]
  • Miscellaneous
    • Chemical Class:

      A carboxylic acid anion resulting from the deprotonation of all four carboxy groups and the protonation of both of the primary amino groups of selenodiglutathione. The major species at pH 7.3. ChEBI CHEBI:71259

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

Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 0.47
ACD/LogD (pH 5.5): -6.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 383 Å2
Surface Tension:
Molar Volume:

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