Products 28841-62-5

CAS 28841-62-5 is the registry number for α-Trinositol. Offered by: MedChemExpress. Available pack sizes: Get quote.

α-Trinositol
MedChemExpress
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Structural formula: {0} (CAS {1})

[(1R,2R,4S,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate (CAS 28841-62-5) is a chemical compound with the molecular formula C6H15O15P3 and a molecular weight of 420.10 g/mol. IUPAC name: [(1R,2R,4S,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate. InChIKey: GKDKOMAJZATYAY-GCVPSNMTSA-N.

Identity
Molecular formulaC6H15O15P3
Molecular weight420.10 g/mol
IUPAC name[(1R,2R,4S,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate
InChIKeyGKDKOMAJZATYAY-GCVPSNMTSA-N
SMILES[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O

Computed by PubChem (NCBI)

Synonyms: Atrinositol, Atrinositol [INN], .alpha.-trinositol, alpha-Trinositol, D-myo-Inositol 1,2,6-tris(dihydrogen phosphate), 1D-myo-inositol 1,2,6-trisphosphate, -Trinositol, I+/--Trinositol, Myo-Inositol Impurity 4, orb1698286
Isomers (same molecular formula)
[(1S,2R,3S,4S,5R,6S)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate C6H15O15P3
[(1R,2S,3R,4R,5S,6R)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate C6H15O15P3
(2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl) dihydrogen phosphate C6H15O15P3

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