2-Methoxy-3-(octadecyloxy)propyl 2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
Basic information
- CAS
90366-45-3- Standard SMILES
CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@@H]1O)OC- InChIKey
DCTHFLQQSOZFLG-ZLKMSFMRSA-N- Molecular formula
- C28H57O11P
- Average molar mass
- 600.7 g/mol
- Monoisotopic mass
- 600.36384963
Names & identifiers
- Preferred name
- 2-Methoxy-3-(octadecyloxy)propyl 2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
- IUPAC
- (2-methoxy-3-octadecoxypropyl) [(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate
Names & synonyms
DTXSID409204302-Methoxy-3-(octadecyloxy)propyl 2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate2-methoxy-3-(octadecyloxy)propyl (2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
Database identifiers
- CAS
90366-45-3- PubChem CID
- 185023
- DTXSID
DTXSID40920430
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 25
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 640
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Compound notes
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