Basic information
- CAS
78092-66-7- Standard SMILES
O=P(O)(O)O.OCCSCc1ccncc1- InChIKey
CMJVTGWDYPQSTL-UHFFFAOYSA-N- Molecular formula
- C8H14NO5PS
- Average molar mass
- 267.24 g/mol
- Monoisotopic mass
- 267.03303072
Names & identifiers
- Preferred name
- Ristianol Phosphate
- IUPAC
- phosphoric acid;2-(pyridin-4-ylmethylsulfanyl)ethanol
- English name
- pirtianol
- Molecular formula
- C8H14NO5PS
- Molecular weight
- 267.239221
Names & synonyms
Ristianol phosphate78092-66-7Ristianol phosphate [USAN]PIRTIANOL PHOSPHATEUNII-MPQ96F9OVNMPQ96F9OVNCP-48,867-9Ristianol phosphate (USAN)CP-48867-9DTXSID60228728Ethanol, 2-((4-pyridinylmethyl)thio)-, phosphate (1:1) (salt)2-(4-PYRIDYLMETHYL)THIOETHANOL PHOSPHATE (1:1) (SALT)
Show more names
867-9
RefChem:179497DTXCID10151219Pirtianol2-((4-Pyridylmethyl)thio(ethanol phosphate (1:1) (salt)phosphoric acid;2-(pyridin-4-ylmethylsulfanyl)ethanolCP 48,867-9SCHEMBL667735orb1695463
Database identifiers
- CAS
78092-66-7- PubChem CID
- 54049
- DTXSID
DTXSID60228728- ChEMBL
CHEMBL2107157- UNII
- MPQ96F9OVN
Properties
Computed structural properties
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- FDA UNII
- 96 F9OVN · MPQ96F9OVN
Chemistry & industry
Applications
UsesImmunoregulator.
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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