[(2R,4R,5R)-3-[[(2R,3R,4S)-6-carboxy-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-4,6-bis(oxidanyl)-5-(sulfonatoamino)oxan-2-yl]methyl sulfate; N-[(3R,4R,6R)-5-[[(2R,3R,4S)-6-carboxy-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(hydroxymethyl)-2,4-bis(oxidanyl)oxan-3-yl]sulfamate

Systemtic Name: [(2R,4R,5R)-3-[[(2R,3R,4S)-6-carboxy-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-4,6-bis(oxidanyl)-5-(sulfonatoamino)oxan-2-yl]methyl sulfate; N-[(3R,4R,6R)-5-[[(2R,3R,4S)-6-carboxy-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(hydroxymethyl)-2,4-bis(oxidanyl)oxan-3-yl]sulfamate Openeye Name: N-[(3R,4R,6R)-5-[[(2R,3R,4S)-6-carboxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]oxy]-2,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]sulfamate; [(2R,4R,5R)-3-[[(2R,3R,4S)-6-carboxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]oxy]-4,6-dihydroxy-5-(sulfonatoamino)tetrahydropyran-2-yl]methyl sulfate CAS Name: N-[(3R,4R,6R)-5-[[(2R,3R,4S)-6-carboxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]oxy]-2,4-dihydroxy-6-(hydroxymethyl)-3-oxanyl]sulfamate; [(2R,4R,5R)-3-[[(2R,3R,4S)-6-carboxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]oxy]-4,6-dihydroxy-5-(sulfonatoamino)-2-oxanyl]methyl sulfate IUPAC Name: N-[(3R,4R,6R)-5-[[(2R,3R,4S)-6-carboxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]oxy]-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamate; [(2R,4R,5R)-3-[[(2R,3R,4S)-6-carboxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]oxy]-4,6-dihydroxy-5-(sulfonatoamino)oxan-2-yl]methyl sulfate Traditional Name: N-[(3R,4R,6R)-5-[[(2R,3R,4S)-6-carboxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]oxy]-2,4-dihydroxy-6-methylol-tetrahydropyran-3-yl]sulfamate; [(2R,4R,5R)-3-[[(2R,3R,4S)-6-carboxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]oxy]-4,6-dihydroxy-5-(sulfonatoamino)tetrahydropyran-2-yl]methyl sulfate Formula: C24H35N2O29S3-3 MolecularWeight: 911.7257

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(C(C1O)O)OC2C(OC(C(C2O)NS(=O)(=O)[O-])O)CO)C(=O)O.C1=C(OC(C(C1O)O)OC2C(OC(C(C2O)NS(=O)(=O)[O-])O)COS(=O)(=O)[O-])C(=O)O

Isomeric SMILES

C1=C(O[C@H]([C@@H]([C@H]1O)O)OC2[C@H](OC([C@@H]([C@H]2O)NS(=O)(=O)[O-])O)CO)C(=O)O.C1=C(O[C@H]([C@@H]([C@H]1O)O)OC2[C@H](OC([C@@H]([C@H]2O)NS(=O)(=O)[O-])O)COS(=O)(=O)[O-])C(=O)O

InChI

InChI=1S/C12H19NO16S2.C12H19NO13S/c14-3-1-4(10(17)18)28-12(7(3)15)29-9-5(2-26-31(23,24)25)27-11(19)6(8(9)16)13-30(20,21)22;14-2-5-9(8(17)6(11(20)24-5)13-27(21,22)23)26-12-7(16)3(15)1-4(25-12)10(18)19/h1,3,5-9,11-16,19H,2H2,(H,17,18)(H,20,21,22)(H,23,24,25);1,3,5-9,11-17,20H,2H2,(H,18,19)(H,21,22,23)/p-3/t2*3-,5+,6+,7+,8+,9?,11?,12-/m00/s1