Phosphonic acid, [(1S)-1-hydroxypropyl]-, bis(1-methylethyl) ester
Basic information
- CAS
173035-34-2- Standard SMILES
CC[C@@H](O)P(=O)(OC(C)C)OC(C)C- InChIKey
OCIVRRRKMDNEOG-VIFPVBQESA-N- Molecular formula
- C9H21O4P
- Average molar mass
- 224.23 g/mol
- Monoisotopic mass
- 224.11774614
Names & identifiers
- Preferred name
- Phosphonic acid, [(1S)-1-hydroxypropyl]-, bis(1-methylethyl) ester
- IUPAC
- (1S)-1-di(propan-2-yloxy)phosphorylpropan-1-ol
Names & synonyms
Phosphonic acid, [(1S)-1-hydroxypropyl]-, bis(1-methylethyl) ester173035-34-2DTXSID90460917Di(propan-2-yl) [(1S)-1-hydroxypropyl]phosphonate
Database identifiers
- CAS
173035-34-2- PubChem CID
- 11276141
- DTXSID
DTXSID90460917- Nikkaji
- J682.974K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 189
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Compound notes
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