Analyte Name

D-myo-Inositol 1,4,5-Trisphosphate Hexaammonium Salt

CAS Number

112571-69-4

Molecular Formula

C6H15O15P3 . 6(NH3)

Molecular Weight

522.28

Accurate Mass

522.14

SMILES

O[C@H]1[C@H](OP(O)(O)=O)[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O.N.N.N.N.N.N

InChI

InChI=1S/C6H15O15P3.6H3N/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12;;;;;;/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18);6*1H3/t1-,2+,3+,4-,5-,6-;;;;;;/m1....../s1

IUPAC

(1R,2R,3S,4R,5R,6S)-3,5,6-trihydroxycyclohexane-1,2,4-triyl tris(dihydrogen phosphate), hexaammonia salt

Alternate CAS Number

85166-31-0

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat