(2S,3S,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-[4-[1-oxidanyl-2-[4-(phenylmethyl)piperidin-1-yl]propyl]phenoxy]oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-[4-[1-oxidanyl-2-[4-(phenylmethyl)piperidin-1-yl]propyl]phenoxy]oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-6-[4-[2-(4-benzyl-1-piperidyl)-1-hydroxy-propyl]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[1-hydroxy-2-[4-(phenylmethyl)-1-piperidinyl]propyl]phenoxy]-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-6-[4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-6-[4-[2-(4-benzylpiperidino)-1-hydroxy-propyl]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C27H35NO8 MolecularWeight: 501.5687

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O)O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C(C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H35NO8/c1-16(28-13-11-18(12-14-28)15-17-5-3-2-4-6-17)21(29)19-7-9-20(10-8-19)35-27-24(32)22(30)23(31)25(36-27)26(33)34/h2-10,16,18,21-25,27,29-32H,11-15H2,1H3,(H,33,34)/t16?,21?,22-,23-,24+,25-,27+/m0/s1