(4R,5S,6R,7R)-4-[(2S,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-5,6,7,8-tetrakis(oxidanyl)-2-oxidanylidene-octanoic acid

Systemtic Name: (4R,5S,6R,7R)-4-[(2S,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-5,6,7,8-tetrakis(oxidanyl)-2-oxidanylidene-octanoic acid Openeye Name: (4R,5S,6R,7R)-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5,6,7,8-tetrahydroxy-2-oxo-octanoic acid CAS Name: (4R,5S,6R,7R)-4-[[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-5,6,7,8-tetrahydroxy-2-oxooctanoic acid IUPAC Name: (4R,5S,6R,7R)-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,8-tetrahydroxy-2-oxooctanoic acid Traditional Name: (4R,5S,6R,7R)-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5,6,7,8-tetrahydroxy-2-keto-caprylic acid Formula: C14H25NO12 MolecularWeight: 399.3478

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(C(O1)OC(CC(=O)C(=O)O)C(C(C(CO)O)O)O)N)O)O)O

Isomeric SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H](CC(=O)C(=O)O)[C@H]([C@@H]([C@@H](CO)O)O)O)N)O)O)O

InChI

InChI=1S/C14H25NO12/c15-8-12(23)11(22)7(3-17)27-14(8)26-6(1-4(18)13(24)25)10(21)9(20)5(19)2-16/h5-12,14,16-17,19-23H,1-3,15H2,(H,24,25)/t5-,6-,7-,8-,9-,10-,11-,12-,14+/m1/s1