(5S)-6-bis(oxidanyl)phosphinothioyloxyhexane-1,5-diamine dihydrate

Systemtic Name: (5S)-6-bis(oxidanyl)phosphinothioyloxyhexane-1,5-diamine dihydrate Openeye Name: (5S)-6-dihydroxyphosphinothioyloxyhexane-1,5-diamine dihydrate CAS Name: (5S)-6-dihydroxyphosphinothioyloxyhexane-1,5-diamine dihydrate IUPAC Name: (5S)-6-dihydroxyphosphinothioyloxyhexane-1,5-diamine dihydrate Traditional Name: [(5S)-5-amino-6-dihydroxythiophosphoryloxy-hexyl]amine dihydrate Formula: C6H21N2O5PS MolecularWeight: 264.280101

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Descriptors Computed from Structure

Canonical SMILES:

C(CCN)CC(COP(=S)(O)O)N.O.O

Isomeric SMILES

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

InChI

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