Myo-inositol 1,3,5-trisphosphate
Basic information
- CAS
114418-88-1- Standard SMILES
O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1O- InChIKey
RURWIJNHQMXJDV-UHFFFAOYSA-N- Molecular formula
- C6H15O15P3
- Average molar mass
- 420.1 g/mol
- Monoisotopic mass
- 419.96238076
Overview
Myo-inositol 1,3,5-trisphosphate is a myo-inositol trisphosphate.
Names & identifiers
- Preferred name
- Myo-inositol 1,3,5-trisphosphate
- IUPAC
- (2,4,6-trihydroxy-3,5-diphosphonooxycyclohexyl) dihydrogen phosphate
- English name
- inositol 2,4,6-triphosphate
- Molecular formula
- C6H15O15P3
- Molecular weight
- 420.1
Names & synonyms
myo-inositol 1,3,5-trisphosphateInositol 2,4,6-triphosphate114418-88-1CHEMBL3349692inositol-(1,3,5)-triphosphateIns(1,3,5)P3D-myo-Inositol-1,3,5-triphosphatemyo-inositol 1,3,5-tris(dihydrogen phosphate)(1R,2S,3r,4R,5S,6s)-2,4,6-trihydroxycyclohexane-1,3,5-triyl tris[dihydrogen (phosphate)]Ins(2,4,6)P3myo-Inositol 2,4,6-trisphosphate(2,4,6-trihydroxy-3,5-diphosphonooxycyclohexyl) dihydrogen phosphate
Show more names
myo-Inositol, 2,4,6-tris(dihydrogen phosphate)
Myo-Ins(2,4,6)P3CHEMBL103242SCHEMBL3496824SCHEMBL4340928Ins (1,3,5)p3CHEBI:46647DTXSID00921367RURWIJNHQMXJDV-GBKPYZKPSA-N
Database identifiers
- CAS
114418-88-1- PubChem CID
- 195079
- DTXSID
DTXSID00921367- ChEMBL
CHEMBL3349692- ChEBI
CHEBI:46647
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
- 475
Physicochemical properties
- Boiling point
- 917.672 · 917.672±75.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 2.25 · 2.250±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.429 · 1.429±0.10(predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Myo-inositol 1,3,5-trisphosphate is a myo-inositol trisphosphate.
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Related reactions
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Compound notes
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