L-Myo-Inositol-1-Phosphate
Basic information
- CAS
573-35-3- Standard SMILES
O=P([O-])([O-])OC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@@H]1O- InChIKey
INAPMGSXUVUWAF-LXOASSSBSA-L- Molecular formula
- C6H11O9P-2
- Average molar mass
- 258.12 g/mol
- Monoisotopic mass
- 258.01406892
Overview
1D-myo-inositol 3-phosphate(2-) is the dianion of 1D-myo-inositol 3-phosphate. It has a role as a Saccharomyces cerevisiae metabolite and a human metabolite. It is an inositol phosphate oxoanion and a myo-inositol phosphate(2-). It is a conjugate base of a 1D-myo-inositol 3-phosphate.
Names & identifiers
- Preferred name
- L-Myo-Inositol-1-Phosphate
- IUPAC
- [(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
- English name
- (2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphonic acid
- Molecular formula
- C6H13O9P
- Molecular weight
- 260.14
Names & synonyms
L-Myo-Inositol-1-Phosphate1D-myo-inositol 3-phosphate(2-)[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl phosphateCHEBI:58401DTXSID208788491L-myo-inositol 1-phosphate(2-)DB03542Q27125760MonophosphateIP1Cytarabine 5’INOSITOLMONOPHOSPHATE
Show more names
Myoinositol 1-phosphateCytarabine-13C3 5’D-myo-Inositol-1-phosphateD-myo-Inositol 1-phosphateDL-myo-Inositol 1-phosphatemyo-Inositol 1-monophosphate
Database identifiers
- CAS
573-35-3- PubChem CID
- 5288700
- DTXSID
DTXSID20878849
Properties
Computed structural properties
- XLogP
- -5
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- -2
- Complexity
- 262
Physicochemical properties
- Boiling point
- 517.4 · 517.4±60.0 °C(Predicted)
- Density
- 2.02 · 2.02±0.1 g/cm3(Predicted)
- Melting point
- 195 °C · 195 °C
- pka
- 1.91 · 1.91±0.10(Predicted)
- FDA UNII
- 5 G9I890092 · 5G9I890092
Chemistry & industry
Applications
Uses(2-Decyloxy)ethanol is a biochemical assay reagent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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