Basic information
- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC- InChIKey
HKWJHKSHEWVOSS-CFLDSDIDSA-N- Molecular formula
- C41H81O19P3
- Average molar mass
- 971 g/mol
- Monoisotopic mass
- 970.45849134
Names & identifiers
- Preferred name
- PtdIns-(3,4)-P2 (1,2-dipalmitoyl)
- IUPAC
- [2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
Names & synonyms
PtdIns-(3,4)-P2 (1,2-dipalmitoyl)HKWJHKSHEWVOSS-CFLDSDIDSA-NDTXSID2013722721-(1,2R-Dihexadecanoylphosphatidyl)inositol-3,4-bisphosphate
Database identifiers
- PubChem CID
- 9854552
- DTXSID
DTXSID201372272
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 303 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 42
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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