alpha-Glutarate malaoxon
Basic information
- CAS
19594-38-8- Standard SMILES
CCOP(=O)(OCC)SC(CCOC(=O)CC)OC(=O)CC- InChIKey
MYTGTIDVVHQLFF-UHFFFAOYSA-N- Molecular formula
- C13H25O7PS
- Average molar mass
- 356.37 g/mol
- Monoisotopic mass
- 356.1058613
Names & identifiers
- Preferred name
- alpha-Glutarate malaoxon
- IUPAC
- (3-diethoxyphosphorylsulfanyl-3-propanoyloxypropyl) propanoate
- English name
- alpha-Glutarate malaoxon
- Molecular formula
- C13H25O7PS
- Molecular weight
- 356.37
Names & synonyms
alpha-Glutarate malaoxon19594-38-8O,O-Diethyl(S-1-(1,3-dicarbethoxy)propyl) phosphorothiolatePhosphorothioic acid, O,O-diethyl S-(1-(1,3-dicarbethoxy)propyl) esterGlutaric acid, 2-mercapto-, diethyl ester, S-ester with O,O-diethyl phosphorothioateRefChem:3184083-[(diethoxyphosphoryl)sulfanyl]-3-(propanoyloxy)propyl propanoate(3-diethoxyphosphorylsulfanyl-3-propanoyloxypropyl) propanoateDTXSID80941366α-Glutarate malaoxonPentanedioic acid, 2-[(diethoxyphosphinyl)thio]-, 1,5-diethyl esterPhosphorothioic acid S-[1,3-di(ethoxycarbonyl)propyl]O,O-diethyl ester
Database identifiers
- CAS
19594-38-8- PubChem CID
- 89190
- DTXSID
DTXSID80941366
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 379
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Compound notes
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