disodium [(3R,4S)-3,4-bis(oxidanyl)-2-oxidanylidene-5-(phenylmethoxycarbonylamino)pentyl] phosphate

Systemtic Name: disodium [(3R,4S)-3,4-bis(oxidanyl)-2-oxidanylidene-5-(phenylmethoxycarbonylamino)pentyl] phosphate Openeye Name: disodium [(3R,4S)-5-(benzyloxycarbonylamino)-3,4-dihydroxy-2-oxo-pentyl] phosphate CAS Name: disodium [(3R,4S)-3,4-dihydroxy-2-oxo-5-(phenylmethoxycarbonylamino)pentyl] phosphate IUPAC Name: disodium [(3R,4S)-3,4-dihydroxy-2-oxo-5-(phenylmethoxycarbonylamino)pentyl] phosphate Traditional Name: disodium [(3R,4S)-5-(benzyloxycarbonylamino)-3,4-dihydroxy-2-keto-pentyl] phosphate Formula: C13H16NNa2O9P MolecularWeight: 407.220741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC(C(C(=O)COP(=O)([O-])[O-])O)O.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC[C@@H]([C@H](C(=O)COP(=O)([O-])[O-])O)O.[Na+].[Na+]

InChI

InChI=1S/C13H18NO9P.2Na/c15-10(12(17)11(16)8-23-24(19,20)21)6-14-13(18)22-7-9-4-2-1-3-5-9;;/h1-5,10,12,15,17H,6-8H2,(H,14,18)(H2,19,20,21);;/q;2*+1/p-2/t10-,12+;;/m0../s1