Basic information
- CAS
629647-81-0- Standard SMILES
CSCCC(=O)C(O)=COP(=O)(O)O- InChIKey
YIEMFVNCENFBSD-UHFFFAOYSA-N- Molecular formula
- C6H11O6PS
- Average molar mass
- 242.19 g/mol
- Monoisotopic mass
- 242.00139624
Names & identifiers
- Preferred name
- 2-Hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate
- IUPAC
- (2-hydroxy-5-methylsulfanyl-3-oxopent-1-enyl) dihydrogen phosphate
Names & synonyms
CHEBI:50605RefChem:9354812-Hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate1-Penten-3-one, 2-hydroxy-5-(methylthio)-1-(phosphonooxy)-629647-81-02-hydroxy-5-(methylsulfanyl)-3-oxopent-1-en-1-yl dihydrogen phosphateDTXSID60274260
Database identifiers
- CAS
629647-81-0- PubChem CID
- 41
- DTXSID
DTXSID60274260
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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