1-Phosphoryloxy-2,4-dihydroxycyclohexane
Basic information
- CAS
129832-35-5- Standard SMILES
OOOPO[C@H]1CC[C@H](O)C[C@H]1O- InChIKey
RJESKQKDXOGILK-JKUQZMGJSA-N- Molecular formula
- C6H13O6P
- Average molar mass
- 212.14 g/mol
- Monoisotopic mass
- 212.04497513
Names & identifiers
- Preferred name
- 1-Phosphoryloxy-2,4-dihydroxycyclohexane
- IUPAC
- (1S,3R,4S)-4-(trioxidanylphosphanyloxy)cyclohexane-1,3-diol
- English name
- 1-phosphoryloxy-2,4-dihydroxycyclohexane
- Molecular formula
- C6H13O6P
- Molecular weight
- 212.14
Names & synonyms
129832-35-51-Podch1-Phosphoryloxy-2,4-dihydroxycyclohexaneDTXSID609265102,4-Dihydroxycyclohexyl trioxidanylphosphinite(1S,2R,4S)-2,4-Dihydroxycyclohexyl trioxidanylphosphinite1,2,4-Cyclohexanetriol, 1-(dihydrogen phosphate), (1S-(1alpha,2alpha,4beta))-1,2,4-Cyclohexanetriol, 1-(dihydrogen phosphate), [1S-(1α,2α,4β)]- (9CI)
Database identifiers
- CAS
129832-35-5- PubChem CID
- 5486938
- DTXSID
DTXSID60926510
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 466.2 · 466.2±55.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- 1.91 · 1.91±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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