(1S,2R,3R)-1-[(2S,4aR,6R,7R,8R,8aR)-6-methoxy-7,8-bis(oxidanyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]butane-1,2,3,4-tetrol

Systemtic Name: (1S,2R,3R)-1-[(2S,4aR,6R,7R,8R,8aR)-6-methoxy-7,8-bis(oxidanyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]butane-1,2,3,4-tetrol Openeye Name: (1S,2R,3R)-1-[(2S,4aR,6R,7R,8R,8aR)-7,8-dihydroxy-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]butane-1,2,3,4-tetrol CAS Name: (1S,2R,3R)-1-[(2S,4aR,6R,7R,8R,8aR)-7,8-dihydroxy-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]butane-1,2,3,4-tetrol IUPAC Name: (1S,2R,3R)-1-[(2S,4aR,6R,7R,8R,8aR)-7,8-dihydroxy-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]butane-1,2,3,4-tetrol Traditional Name: (1S,2R,3R)-1-[(2S,4aR,6R,7R,8R,8aR)-7,8-dihydroxy-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]butane-1,2,3,4-tetrol Formula: C12H22O10 MolecularWeight: 326.29708

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C2C(O1)COC(O2)C(C(C(CO)O)O)O)O)O

Isomeric SMILES

CO[C@H]1[C@@H]([C@H]([C@@H]2[C@H](O1)CO[C@@H](O2)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O

InChI

InChI=1S/C12H22O10/c1-19-11-9(18)7(16)10-5(21-11)3-20-12(22-10)8(17)6(15)4(14)2-13/h4-18H,2-3H2,1H3/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1