calcium; 3-azanyl-6-(hydroxymethyl)oxane-2,4,5-triol; hydrogen sulfate; chloride

Systemtic Name: calcium; 3-azanyl-6-(hydroxymethyl)oxane-2,4,5-triol; hydrogen sulfate; chloride Openeye Name: calcium; 3-amino-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol; hydrogen sulfate; chloride CAS Name: calcium; 3-amino-6-(hydroxymethyl)oxane-2,4,5-triol; hydrogen sulfate; chloride IUPAC Name: calcium; 3-amino-6-(hydroxymethyl)oxane-2,4,5-triol; hydrogen sulfate; chloride Traditional Name: calcium 3-amino-6-methylol-tetrahydropyran-2,4,5-triol bisulfate chloride Formula: C6H14CaClNO9S MolecularWeight: 351.77266

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(C(O1)O)N)O)O)O.OS(=O)(=O)[O-].[Cl-].[Ca+2]

Isomeric SMILES

C(C1C(C(C(C(O1)O)N)O)O)O.OS(=O)(=O)[O-].[Cl-].[Ca+2]

InChI

InChI=1S/C6H13NO5.Ca.ClH.H2O4S/c7-3-5(10)4(9)2(1-8)12-6(3)11;;;1-5(2,3)4/h2-6,8-11H,1,7H2;;1H;(H2,1,2,3,4)/q;+2;;/p-2