(2S,3S,4R,5R,6S)-6-[(3R,4S,5R)-5-[(2S,3R,4R,5R)-3,4-bis(oxidanyl)-5-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2,4-bis(oxidanyl)oxan-3-yl]oxy-3-methoxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4R,5R,6S)-6-[(3R,4S,5R)-5-[(2S,3R,4R,5R)-3,4-bis(oxidanyl)-5-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2,4-bis(oxidanyl)oxan-3-yl]oxy-3-methoxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4R,5R,6S)-6-[(3R,4S,5R)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2,4-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-3-methoxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4R,5R,6S)-6-[[(3R,4S,5R)-5-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxy]-2,4-dihydroxy-3-oxanyl]oxy]-4,5-dihydroxy-3-methoxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4R,5R,6S)-6-[(3R,4S,5R)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4R,5R,6S)-6-[(3R,4S,5R)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2,4-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-3-methoxy-tetrahydropyran-2-carboxylic acid Formula: C22H36O19 MolecularWeight: 604.50984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(OC1C(=O)O)OC2C(C(COC2O)OC3C(C(C(CO3)OC4C(C(C(CO4)O)O)O)O)O)O)O)O

Isomeric SMILES

CO[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1C(=O)O)O[C@@H]2[C@H]([C@@H](COC2O)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)O)O)O

InChI

InChI=1S/C22H36O19/c1-34-15-11(27)14(30)22(41-17(15)18(31)32)40-16-10(26)7(3-35-19(16)33)39-21-13(29)9(25)6(4-37-21)38-20-12(28)8(24)5(23)2-36-20/h5-17,19-30,33H,2-4H2,1H3,(H,31,32)/t5-,6-,7-,8+,9+,10+,11-,12-,13-,14-,15+,16-,17+,19?,20+,21+,22+/m1/s1