myo-Inositol Trispyrophosphate Hexasodium Salt

Analyte Name

myo-Inositol Trispyrophosphate Hexasodium Salt

CAS Number

23103-35-7

Molecular Formula

C6 H6 O21 P6 . 6[Na]

Molecular Weight

737.88

Accurate Mass

737.721

SMILES

O=P1(O[C@]2([H])[C@@]3([H])[C@@](OP(OP(O3)(O[Na])=O)(O[Na])=O)([H])[C@]4([H])[C@@](OP(OP(O4)(O[Na])=O)(O[Na])=O)([H])[C@@]2([H])OP(O1)(O[Na])=O)O[Na]

InChI

InChI=1S/C6H12O21P6.6Na/c7-28(8)19-1-2(20-29(9,10)25-28)4-6(24-33(17,18)27-32(15,16)23-4)5-3(1)21-30(11,12)26-31(13,14)22-5;;;;;;/h1-6H,(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H,15,16)(H,17,18);;;;;;/q;6*+1/p-6/t1-,2-,3-,4+,5-,6-;;;;;;/m0....../s1

Alternate CAS Number

Free acid: 802590-64-3

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)