Basic information
- CAS
72720-13-9- Standard SMILES
CCCCCCOP(C)(=O)SCSCC(=O)OC- InChIKey
GJCSDAQWOWULAW-UHFFFAOYSA-N- Molecular formula
- C11H23O4PS2
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.07753856
Names & identifiers
- Preferred name
- Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphatridecan-1-oate
- IUPAC
- methyl 2-[[hexoxy(methyl)phosphoryl]sulfanylmethylsulfanyl]acetate
Names & synonyms
72720-13-9DTXSID30993537Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphatridecan-1-oateRefChem:1089512DTXCID501420581Acetic acid, 2-(mercaptomethylthio)-, methyl ester, S-ester with O-hexyl methylphosphonothioate
Database identifiers
- CAS
72720-13-9- PubChem CID
- 51674
- DTXSID
DTXSID30993537
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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