[(2R,3S,4S,5R)-6-[(2R,3R,4S)-3,4-disulfooxy-2,5-bis(sulfooxymethyl)oxolan-2-yl]oxy-4-methyl-3,5-disulfooxy-oxan-2-yl]methyl hydrogen sulfate

Systemtic Name: [(2R,3S,4S,5R)-6-[(2R,3R,4S)-3,4-disulfooxy-2,5-bis(sulfooxymethyl)oxolan-2-yl]oxy-4-methyl-3,5-disulfooxy-oxan-2-yl]methyl hydrogen sulfate Openeye Name: [(2R,3S,4S,5R)-6-[(2R,3R,4S)-3,4-disulfooxy-2,5-bis(sulfooxymethyl)tetrahydrofuran-2-yl]oxy-4-methyl-3,5-disulfooxy-tetrahydropyran-2-yl]methyl hydrogen sulfate CAS Name: sulfuric acid [(2R,3S,4S,5R)-6-[[(2R,3R,4S)-3,4-disulfooxy-2,5-bis(sulfooxymethyl)-2-oxolanyl]oxy]-4-methyl-3,5-disulfooxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R)-6-[(2R,3R,4S)-3,4-disulfooxy-2,5-bis(sulfooxymethyl)oxolan-2-yl]oxy-4-methyl-3,5-disulfooxyoxan-2-yl]methyl hydrogen sulfate Traditional Name: sulfuric acid [(2R,3S,4S,5R)-6-[(2R,3R,4S)-3,4-disulfoxy-2,5-bis(sulfoxymethyl)tetrahydrofuran-2-yl]oxy-4-methyl-3,5-disulfoxy-tetrahydropyran-2-yl]methyl ester Formula: C13H24O31S7 MolecularWeight: 900.76606

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(OC(C1OS(=O)(=O)O)OC2(C(C(C(O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H](OC([C@@H]1OS(=O)(=O)O)O[C@@]2([C@@H]([C@H](C(O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C13H24O31S7/c1-5-8(41-48(23,24)25)6(2-35-45(14,15)16)38-12(9(5)42-49(26,27)28)40-13(4-37-47(20,21)22)11(44-51(32,33)34)10(43-50(29,30)31)7(39-13)3-36-46(17,18)19/h5-12H,2-4H2,1H3,(H,14,15,16)(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31)(H,32,33,34)/t5-,6+,7?,8-,9+,10-,11+,12?,13+/m0/s1