6-(butoxymethyl)-3-methoxy-4,5-bis(oxidanyl)oxan-2-olate triphosphate

Systemtic Name: 6-(butoxymethyl)-3-methoxy-4,5-bis(oxidanyl)oxan-2-olate triphosphate Openeye Name: 6-(butoxymethyl)-4,5-dihydroxy-3-methoxy-tetrahydropyran-2-olate triphosphate CAS Name: 6-(butoxymethyl)-4,5-dihydroxy-3-methoxy-2-oxanolate triphosphate IUPAC Name: 6-(butoxymethyl)-4,5-dihydroxy-3-methoxyoxan-2-olate triphosphate Traditional Name: 6-(butoxymethyl)-4,5-dihydroxy-3-methoxy-tetrahydropyran-2-olate triphosphate Formula: C11H21O18P3-10 MolecularWeight: 534.194923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1C(C(C(C(O1)[O-])OC)O)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCOCC1C(C(C(C(O1)[O-])OC)O)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C11H21O6.3H3O4P/c1-3-4-5-16-6-7-8(12)9(13)10(15-2)11(14)17-7;3*1-5(2,3)4/h7-13H,3-6H2,1-2H3;3*(H3,1,2,3,4)/q-1;;;/p-9