Inositol-1,2-cyclic-4,5-triphosphate structure

Inositol-1,2-cyclic-4,5-triphosphate

(2,4,7-trihydroxy-2-oxo-5-phosphonooxy-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphol-6-yl) dihydrogen phosphate

Also Known As: Inositol cyclic trisphosphate|IN-1,2-Ctp|Inositol-1,2-cyclic-4,5-triphosphate|(2,4,7-trihydroxy-2-oxo-5-phosphonooxy-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphol-6-yl) dihydrogen phosphate|2,4,7-trihydroxy-2-oxidohexahydro-1,3,2-benzodioxaphosphole-5,6-diyl bis[dihydrogen(phosphate)]|myo-Inositol, cyclic 1,2-(hydrogen phosphate) 4,5-bis(dihydrogen phosphate)|2,4,7-Trihydroxy-2-oxohexahydro-2H-1,3,2lambda~5~-benzodioxaphosphole-5,6-diyl bis[dihydrogen (phosphate)]

CAS: 6306-05-4
Molecular Formula C6H13O14P3
Molecular Weight 401.9518 g/mol
LogP -6.0
Topological Polar Surface Area 230.0 Ų
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 14
Rotatable Bonds 4
Exact Mass 401.9518
Monoisotopic Mass 401.9518
Heavy Atoms 23
Complexity 545.0

Chemical Identifiers

CAS Number 6306-05-4
SMILES C1(C2C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O2)O)O
InChIKey BRKGTEDJKDFURA-UHFFFAOYSA-N

Product Overview

Inositol-1,2-cyclic-4,5-triphosphate (CAS 6306-05-4), with molecular formula C6H13O14P3 and molecular weight 401.9518 g/mol. IUPAC: (2,4,7-trihydroxy-2-oxo-5-phosphonooxy-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphol-6-yl) dihydrogen phosphate.

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