2-(Acetyloxy)-3-hydroxy-3,5,5-trimethyl-1,2lambda~5~-oxaphosphinan-2-one
Basic information
- CAS
108331-14-2- Standard SMILES
CC(=O)OP1(=O)OCC(C)(C)CC1(C)O- InChIKey
JNPFXCVABAZXKF-UHFFFAOYSA-N- Molecular formula
- C9H17O5P
- Average molar mass
- 236.2 g/mol
- Monoisotopic mass
- 236.08136064
Names & identifiers
- Preferred name
- 2-(Acetyloxy)-3-hydroxy-3,5,5-trimethyl-1,2lambda~5~-oxaphosphinan-2-one
- IUPAC
- (3-hydroxy-3,5,5-trimethyl-2-oxo-1,2λ5-oxaphosphinan-2-yl) acetate
Names & synonyms
DTXSID309106882-(Acetyloxy)-3-hydroxy-3,5,5-trimethyl-1,2lambda~5~-oxaphosphinan-2-oneRefChem:1061415DTXCID601339733108331-14-2BRN 5542923cis-2-Methoxy-3,5,5-trimethyl-1,2-oxaphospholan-3-ol acetate 2-oxide1,2-OXAPHOSPHOLAN-3-OL, 2-METHOXY-3,5,5-TRIMETHYL-, ACETATE, 2-OXIDE, cis-3-Hydroxy-3,5,5-trimethyl-2-oxo-1,2lambda~5~-oxaphosphinan-2-yl acetate
Database identifiers
- CAS
108331-14-2- PubChem CID
- 60241
- DTXSID
DTXSID30910688
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 324
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Compound notes
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