Found 7 results

Search term: PHDOXVGRXXAYEB-LPGGKDDXDI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S,7R,26R,31S)-2,31-Diammonio-5,8,11,22,25,28-hexaoxo-7,26-bis(sulfanylmethyl)-6,9,12,21,24,27-hexaaza-16-azoniadotriacontane-1,32-dioate | C27H50N9O10S2

(2S,7R,26R,31S)-2,31-Diammonio-5,8,11,22,25,28-hexaoxo-7,26-bis(sulfanylmethyl)-6,9,12,21,24,27-hexaaza-16-azoniadotriacontane-1,32-dioate

  • Molecular FormulaC27H50N9O10S2
  • Average mass724.870 Da
  • Monoisotopic mass724.311646 Da
  • ChemSpider ID26331107

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,7R,26R,31S)-2,31-Diammonio-5,8,11,22,25,28-hexaoxo-7,26-bis(sulfanylmethyl)-6,9,12,21,24,27-hexaaza-16-azoniadotriacontan-1,32-dioat [German] [ACD/IUPAC Name]
(2S,7R,26R,31S)-2,31-Diammonio-5,8,11,22,25,28-hexaoxo-7,26-bis(sulfanylmethyl)-6,9,12,21,24,27-hexaaza-16-azoniadotriacontane-1,32-dioate [ACD/IUPAC Name]
(2S,7R,26R,31S)-2,31-Diammonio-5,8,11,22,25,28-hexaoxo-7,26-bis(sulfanylméthyl)-6,9,12,21,24,27-hexaaza-16-azoniadotriacontane-1,32-dioate [French] [ACD/IUPAC Name]
(2S,7R,26R,31S)-2,31-diazaniumyl-5,8,11,22,25,28-hexaoxo-7,26-bis(sulfanylmethyl)-6,9,12,21,24,27-hexaaza-16-azoniadotriacontane-1,32-dioate
Trypanothione [Wiki]
trypanothione cation
trypanothione(1+)
  • Miscellaneous

    • Chemical Class:

      An organic cation that is the conjugate acid of trypanothione, arising from deprotonation of the carboxy groups and protonation of the primary and secondary amino groups; major species at pH 7.3. ChEBI CHEBI:58290

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

Density:
Boiling Point: 1235.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 198.9±6.0 kJ/mol
Flash Point: 700.9±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 19
#H bond donors: 13
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: -2.36
ACD/LogD (pH 5.5): -6.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 404 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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