Basic information
- CAS
143491-08-1- Standard SMILES
O=P(O)(OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O)OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O- InChIKey
FIIUDBCIQWHEHT-RXFXWCQRSA-N- Molecular formula
- C12H23O14P
- Average molar mass
- 422.28 g/mol
- Monoisotopic mass
- 422.0825424
Names & identifiers
- Preferred name
- Di-myo-inositol-1,1'-phosphate
- IUPAC
- bis[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate
- English name
- Ins-P-ins
- Molecular formula
- C12H23O14P
- Molecular weight
- 422.276381
Names & synonyms
Ins-P-insDi-myo-inositol-1,1'-phosphate143491-08-1Di-myoinositol-1,1'-phosphatemyo-Inostil, 1,1'-(hydrogen phosphate)bis[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphateSCHEMBL4304933DTXSID40931905bis(2,3,4,5,6-pentahydroxycyclohexyl) hydrogen phosphatemyo-Inositol, 1,1'-(hydrogen phosphate)
Database identifiers
- CAS
143491-08-1- PubChem CID
- 3083380
- DTXSID
DTXSID40931905- Nikkaji
- J977.618D
Properties
Computed structural properties
- XLogP
- -7.5
- Topological polar surface area
- 258 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 486
Physicochemical properties
- Boiling point
- 648.1 · 648.1±65.0 °C(Predicted)
- Density
- 2.04 · 2.04±0.1 g/cm3(Predicted)
- pka
- 1.44 · 1.44±0.50(Predicted)
Chemistry & industry
Suppliers1 total
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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