[Synonyms]
inositol 1-phosphate
inositol 4-phosphate
1-D-myo-inositol-1-p
1-L-myo-inositol-1-p
myo-inositol 1-phosphate
myo-inositol 4-phosphate
D-myo-inositol 3-phosphate
D-myo-inositol-4-phosphate
L-myo-inositol 1-phosphate
D-myo-Inositol 1-phosphate
[Structure]
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: (2,3,4,5,6-pentahydroxycyclohexyl) dihydrogen phosphate
Canonical SMILES: C1(C(C(C(C(C1O)O)OP(=O)(O)O)O)O)O
InChI: InChI=1/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,
12,13,14)/f/h12-13H
inositol 1-phosphate
inositol 4-phosphate
1-D-myo-inositol-1-p
1-L-myo-inositol-1-p
myo-inositol 1-phosphate
myo-inositol 4-phosphate
D-myo-inositol 3-phosphate
D-myo-inositol-4-phosphate
L-myo-inositol 1-phosphate
D-myo-Inositol 1-phosphate
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 260.135781 [g/mol] |
| Molecular Formula | C6H13O9P |
| XLogP | -4.2 |
| H-Bond Donor | 7 |
| H-Bond Acceptor | 9 |
| Rotatable Bond Count | 2 |
| Exact Mass | 260.029719 |
| MonoIsotopic Mass | 260.029719 |
| Topological Polar Surface Area | 168 |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 274 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 0 |
| Undefined Atom StereoCenter Count | 4 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: (2,3,4,5,6-pentahydroxycyclohexyl) dihydrogen phosphate
Canonical SMILES: C1(C(C(C(C(C1O)O)OP(=O)(O)O)O)O)O
InChI: InChI=1/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,
12,13,14)/f/h12-13H
