7,8-Dihydro-7-hydroxy-8-S-glutathionyl-benzo[a]pyrene(aq)
Cannot estimate ΔfG' with any level of certainty
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General Properties
Formula C30H29N3O7S
Common names 7,8-Dihydro-7-hydroxy-8-S-glutathionyl-benzo[a]pyrene; C14856
Molar Mass 575.17 [Da]
Structure
Links KEGG »
Species Formation Energies
Phase Net charge #Hydrogens Δf [kJ/mol] ΔfG'° [kJ/mol] Reference
aqueous -3 26 -550.9 497.8 Component Contribution (2013)
aqueous -2 27 -629.2 463.1
aqueous -1 28 -683.6 451.1
aqueous 0 29 -716.3 459.6
aqueous 1 30 -740.5 475.3
aqueous 2 31 -759.8 494.7
aqueous 3 32 -771.1 520.9
aqueous 4 33 -779.6 548.6