inositol hexanicotinate

[2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate

CAS: 6556-11-2

Molecular Formula	`C42H30N6O12`
Molecular Weight	810.7 g/mol
LogP	3.3
Topological Polar Surface Area	235.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	18
Rotatable Bonds	18
Exact Mass	810.1922
Heavy Atoms	60
Complexity	1210.0

Chemical Identifiers

CAS Number	6556-11-2
SMILES	`C1=CC(=CN=C1)C(=O)OC2C(C(C(C(C2OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6)OC(=O)C7=CN=CC=C7`
InChIKey	`MFZCIDXOLLEMOO-UHFFFAOYSA-N`

📖 Product Overview

inositol hexanicotinate (CAS: 6556-11-2) is a chemical compound with molecular formula C42H30N6O12 and molecular weight 810.7 g/mol. Its IUPAC systematic name is [2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate. LogP 3.3 Topological Polar Surface Area 235.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 18 Rotatable Bonds 18 Exact Mass 810.1922 Heavy Atoms 60 Complexity 1210.0 InChI Key: MFZCIDXOLLEMOO-UHFFFAOYSA-N. SMILES: C1=CC(=CN=C1)C(=O)OC2C(C(C(C(C2OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6)OC(=O)C7=CN=CC=C7.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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