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Structure

[(2R,3S,5R,6R)-3,4,5-Trihydroxy-2,6-diphosphonooxycyclohexyl]dihydrogenphosphate

CAS
28841-62-5
Catalog Number
ACM28841625
Category
Other Products
Molecular Weight
420.096 g/mol
Molecular Formula
C6H15O15P3

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Specification

Synonyms
Atrinositol, Atrinositol [INN], Inositol 1,2,6-triphosphate, UNII-VYF3049W3N, PP56, myo-inositol 1,2,6-triphosphate, C6H15O15P3, PP-56, CID65762, LS-84057, D-myo-Inositol 1,2,6-tris(dihydrogen phosphate), 28841-62-5
IUPAC Name
[(1R,2R,4S,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate
Canonical SMILES
C1(C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O
InChI Key
GKDKOMAJZATYAY-GCVPSNMTSA-N
Boiling Point
839.2ºC at 760mmHg
Flash Point
461.3ºC
Density
2.25g/cm³
Exact Mass
419.96200
H-Bond Acceptor
15
H-Bond Donor
9
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