[(2R,3S,4R,5S)-5-(heptanoylamino)-2,3,4,6-tetrakis(oxidanyl)hexyl] dihydrogen phosphate

Systemtic Name: [(2R,3S,4R,5S)-5-(heptanoylamino)-2,3,4,6-tetrakis(oxidanyl)hexyl] dihydrogen phosphate Openeye Name: [(2R,3S,4R,5S)-5-(heptanoylamino)-2,3,4,6-tetrahydroxy-hexyl] dihydrogen phosphate CAS Name: [(2R,3S,4R,5S)-2,3,4,6-tetrahydroxy-5-(1-oxoheptylamino)hexyl] dihydrogen phosphate IUPAC Name: [(2R,3S,4R,5S)-5-(heptanoylamino)-2,3,4,6-tetrahydroxyhexyl] dihydrogen phosphate Traditional Name: [(2R,3S,4R,5S)-5-(enanthylamino)-2,3,4,6-tetrahydroxy-hexyl] dihydrogen phosphate Formula: C13H28NO9P MolecularWeight: 373.336481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC(CO)C(C(C(COP(=O)(O)O)O)O)O

Isomeric SMILES

CCCCCCC(=O)N[C@@H](CO)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O

InChI

InChI=1S/C13H28NO9P/c1-2-3-4-5-6-11(17)14-9(7-15)12(18)13(19)10(16)8-23-24(20,21)22/h9-10,12-13,15-16,18-19H,2-8H2,1H3,(H,14,17)(H2,20,21,22)/t9-,10+,12+,13+/m0/s1