4,5-Dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene(aq)
Cannot estimate ΔfG' with any level of certainty
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General Properties
Formula C30H29N3O7S
Common names 4,5-Dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene; C14855
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 -578.4 470.3 Component Contribution (2013)
aqueous -2 27 -657.2 435.1
aqueous -1 28 -711.7 423.0
aqueous 0 29 -744.9 431.0
aqueous 1 30 -768.3 447.5
aqueous 2 31 -787.5 467.0
aqueous 3 32 -799.3 492.7
aqueous 4 33 -808.3 520.0