19218-94-1 Purity
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Specification
The molecular formula of Epiprogoitrin is C11H19NO10S2.
The molecular weight of Epiprogoitrin is 389.4 g/mol.
Epiprogoitrin was created on August 8, 2005, and last modified on December 30, 2023.
The IUPAC name of Epiprogoitrin is [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z,3S)-3-hydroxy-N-sulfooxypent-4-enimidothioate.
The InChI of Epiprogoitrin is InChI=1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/b12-7-/t5-,6-,8-,9+,10-,11+/m1/s1.
The InChIKey of Epiprogoitrin is MYHSVHWQEVDFQT-KBHNZSCUSA-N.
The synonyms of Epiprogoitrin are epi-Progoitrin, (2R)-2-Hydroxybut-3-enylglucosinolate, and Progoitrin.
The Canonical SMILES of Epiprogoitrin is C=CC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)O.
The XLogP3-AA value of Epiprogoitrin is -1.9.
Yes, Epiprogoitrin is considered a canonical compound according to PubChem.