[(2S)-2,6-bis(azanyl)hexyl]sulfanylphosphonic acid dihydrate

Systemtic Name: [(2S)-2,6-bis(azanyl)hexyl]sulfanylphosphonic acid dihydrate Openeye Name: [(2S)-2,6-diaminohexyl]sulfanylphosphonic acid dihydrate CAS Name: [[(2S)-2,6-diaminohexyl]thio]phosphonic acid dihydrate IUPAC Name: [(2S)-2,6-diaminohexyl]sulfanylphosphonic acid dihydrate Traditional Name: [[(2S)-2,6-diaminohexyl]thio]phosphonic acid dihydrate Formula: C6H21N2O5PS MolecularWeight: 264.280101

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Descriptors Computed from Structure

Canonical SMILES:

C(CCN)CC(CSP(=O)(O)O)N.O.O

Isomeric SMILES

C(CCN)C[C@@H](CSP(=O)(O)O)N.O.O

InChI

InChI=1S/C6H17N2O3PS.2H2O/c7-4-2-1-3-6(8)5-13-12(9,10)11;;/h6H,1-5,7-8H2,(H2,9,10,11);2*1H2/t6-;;/m0../s1