Basic information
- CAS
72720-11-7- Standard SMILES
CCCCCCCOP(C)(=O)SCSCC(=O)OC- InChIKey
VLZQPYQJMAQQDG-UHFFFAOYSA-N- Molecular formula
- C12H25O4PS2
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.09318862
Names & identifiers
- Preferred name
- Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphatetradecan-1-oate
- IUPAC
- methyl 2-[[heptoxy(methyl)phosphoryl]sulfanylmethylsulfanyl]acetate
Names & synonyms
72720-11-7DTXSID10993535Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphatetradecan-1-oateRefChem:1089511DTXCID501420579Acetic acid, 2-(mercaptomethylthio)-, methyl ester, S-ester with O-heptyl methylphosphonothioate
Database identifiers
- CAS
72720-11-7- PubChem CID
- 51672
- DTXSID
DTXSID10993535
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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