Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C14H19NO10S2
- Molecular weight
- 425.4 g/mol
- IUPAC name
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-hydroxyphenyl)-N-sulfooxyethanimidothioate
- SMILES
- C1=CC(=CC=C1CC(=NOS(=O)(=O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
- InChIKey
- WWBNBPSEKLOHJU-LPUQOGTASA-N
- XLogP
- -0.6
- Polar surface area
- 220 Ų
- H-bond donors
- 6
- H-bond acceptors
- 12
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- glucosinolate
- Named after
- Sinapis alba
- Mass
- 425.045037808
Show 5 more facts
- isomeric SMILES
- OC[C@H]1O[C@@H](SC(Cc2ccc(O)cc2)=NOS(O)(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O
- chemical formula
- C₁₄H₁₉NO₁₀S₂
- found in taxon
- Brassica oleracea
- canonical SMILES
- O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CC2=CC=C(O)C=C2
- Commons category
- Sinalbin
Sources (2)
via Wikidata · CC0