sodium (2S,3S,4R,5S)-6-(heptylamino)-2,3,4,5-tetrakis(oxidanyl)hexanoate

Systemtic Name: sodium (2S,3S,4R,5S)-6-(heptylamino)-2,3,4,5-tetrakis(oxidanyl)hexanoate Openeye Name: sodium (2S,3S,4R,5S)-6-(heptylamino)-2,3,4,5-tetrahydroxy-hexanoate CAS Name: sodium (2S,3S,4R,5S)-6-(heptylamino)-2,3,4,5-tetrahydroxyhexanoate IUPAC Name: sodium (2S,3S,4R,5S)-6-(heptylamino)-2,3,4,5-tetrahydroxyhexanoate Traditional Name: sodium (2S,3S,4R,5S)-6-(heptylamino)-2,3,4,5-tetrahydroxy-hexanoate Formula: C13H26NNaO6 MolecularWeight: 315.33841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNCC(C(C(C(C(=O)[O-])O)O)O)O.[Na+]

Isomeric SMILES

CCCCCCCNC[C@@H]([C@H]([C@@H]([C@@H](C(=O)[O-])O)O)O)O.[Na+]

InChI

InChI=1S/C13H27NO6.Na/c1-2-3-4-5-6-7-14-8-9(15)10(16)11(17)12(18)13(19)20;/h9-12,14-18H,2-8H2,1H3,(H,19,20);/q;+1/p-1/t9-,10+,11-,12-;/m0./s1