Basic information
- Standard SMILES
O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O- InChIKey
ZAWIXNGTTZTBKV-UHFFFAOYSA-N- Molecular formula
- C6H16O18P4
- Average molar mass
- 500.08 g/mol
- Monoisotopic mass
- 499.92871165
Names & identifiers
- Preferred name
- (2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate
- IUPAC
- (2,5-dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate
Names & synonyms
D-myo-Inositol-1,3,4,6-tetraphosphate1,5,6-IP3 sodium saltCHEMBL100498SCHEMBL1331808Ins(1,5,6)-P3 sodium salt1,2,4,5-InsP4ZAWIXNGTTZTBKV-UHFFFAOYSA-NDTXSID101369486(2,5-dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphateBDBM50132166MI33008PD207618
Show more names
D-myo-Inositol-3,4,5,6-tetrakis(dihydrogen phosphate)Phosphoric acid mono-(2,5-dihydroxy-3,4,6-tris-phosphonooxy-cyclohexyl) esterTetraphosphoric acid-(2,5-dihydroxy-3,4,6-tris-phosphonooxy-cyclohexyl) ester
Database identifiers
- PubChem CID
- 477
- DTXSID
DTXSID101369486
Properties
Computed structural properties
- XLogP
- -8.1
- Topological polar surface area
- 308 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 604
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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