Basic information
- CAS
1219383-17-1- Standard SMILES
O=P(O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O- InChIKey
MMWCIQZXVOZEGG-UHFFFAOYSA-N- Molecular formula
- C6H15O15P3
- Average molar mass
- 420.1 g/mol
- Monoisotopic mass
- 419.96238076
Overview
inositol 1,4,5-trisphosphate has been reported in Homo sapiens with data available.
Names & identifiers
- Preferred name
- (2,3,5-Trihydroxy-4,6-diphosphonooxycyclohexyl) dihydrogen phosphate
- IUPAC
- (2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl) dihydrogen phosphate
Names & synonyms
(2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl) dihydrogen phosphate93133-76-788269-39-01219383-17-1D-myo-Inositol 1,3,4-tris-phosphate ammonium saltSCHEMBL98182D-myo-Inositol 1,4,5-trisphosphate triammonium saltDTXSID90868999D-myo-Inositol 1,3,4-tris-phosphatePD025882112571-69-4(2,4,5-Trihydroxy-3,6-diphosphonooxycyclohexyl) dihydrogen phosphate
Show more names
3,5,6-Trihydroxycyclohexane-1,2,4-triyl tris[dihydrogen (phosphate)]
Database identifiers
- CAS
1219383-17-1- PubChem CID
- 806
- DTXSID
DTXSID90868999
Properties
Computed structural properties
- XLogP
- -7
- Topological polar surface area
- 261 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 574
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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