Basic information
- CAS
85758-30-1- Standard SMILES
N#CC1(OC2OC(CO)C(O)C(O)C2O)C=CC(OS(=O)(=O)O)C1- InChIKey
OXUIYNFEUWRHJJ-UHFFFAOYSA-N- Molecular formula
- C12H17NO10S
- Average molar mass
- 367.33 g/mol
- Monoisotopic mass
- 367.05731691
Overview
Tetraphyllin B sulfate is a cyanogenic glycoside.
Names & identifiers
- Preferred name
- Tetraphyllin B sulfate
- IUPAC
- [4-cyano-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-en-1-yl] hydrogen sulfate
Names & synonyms
Tetraphyllin B sulfate[4-cyano-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-en-1-yl] hydrogen sulfate(4-cyano-4-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxycyclopent-2-en-1-yl) hydrogen sulfateRefChem:188851TETRAPHYLLIN B SULFATE (KCS-1CA)NSC370270epi-Tetraphyllin B sulfateTETRAPHYLLIN B SULFATE: EPI-Tetraphyllin B sulphateEpi-tetraphyllin b sulphateTetraphyllin b sulphate: epi-CHEBI:165236
Show more names
NSC-3702702-Cyclopentene-1-carbonitrile, 1-(hexopyranosyloxy)-4-(sulfooxy)-(4-cyano-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopent-2-en-1-yl)oxidanesulfonic acid[4-cyano-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-en-1-yl] hydrogen sulate[4-cyano-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclopent-2-en-1-yl] hydrogen sulfate
Database identifiers
- CAS
85758-30-1- PubChem CID
- 435458
- ChEBI
CHEBI:165236
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 636
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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