sodium 2-[(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]sulfanylpropanoate

Systemtic Name: sodium 2-[(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]sulfanylpropanoate Openeye Name: sodium 2-[(2S,3S,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]sulfanylpropanoate CAS Name: sodium 2-[[(2S,3S,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-3-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]thio]propanoate IUPAC Name: sodium 2-[(2S,3S,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]sulfanylpropanoate Traditional Name: sodium 2-[[(2S,3S,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-methoxy-2-methylol-tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]thio]propionate Formula: C16H27NaO12S MolecularWeight: 466.43315

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1C(C(OC(C1O)OC2C(OC(C(C2O)O)OC)CO)CO)O.[Na+]

Isomeric SMILES

CC(C(=O)[O-])S[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC)CO)CO)O.[Na+]

InChI

InChI=1S/C16H28O12S.Na/c1-5(14(23)24)29-13-8(19)6(3-17)26-16(11(13)22)28-12-7(4-18)27-15(25-2)10(21)9(12)20;/h5-13,15-22H,3-4H2,1-2H3,(H,23,24);/q;+1/p-1/t5?,6-,7-,8+,9-,10-,11-,12-,13+,15-,16+;/m1./s1