sodium N-[[(2R,3S,4R)-4-[(2R,3R,4S,5S,6R)-4-[(2S)-3-cyclohexyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]methyl]sulfamate

Systemtic Name: sodium N-[[(2R,3S,4R)-4-[(2R,3R,4S,5S,6R)-4-[(2S)-3-cyclohexyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]methyl]sulfamate Openeye Name: sodium N-[[(2R,3S,4R)-4-[(2R,3R,4S,5S,6R)-4-[(1S)-1-(cyclohexylmethyl)-2-hydroxy-2-oxo-ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl]sulfamate CAS Name: sodium N-[[(2R,3S,4R)-4-[[(2R,3R,4S,5S,6R)-4-[(2S)-3-cyclohexyl-1-hydroxy-1-oxopropan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]methyl]sulfamate IUPAC Name: sodium N-[[(2R,3S,4R)-4-[(2R,3R,4S,5S,6R)-4-[(2S)-3-cyclohexyl-1-hydroxy-1-oxopropan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl]sulfamate Traditional Name: sodium N-[[(2R,3S,4R)-4-[(2R,3R,4S,5S,6R)-4-[(1S)-1-(cyclohexylmethyl)-2-hydroxy-2-keto-ethoxy]-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl]sulfamate Formula: C27H46NNaO17S MolecularWeight: 711.70541

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(CCOC2CNS(=O)(=O)[O-])OC3C(C(C(C(O3)CO)O)OC(CC4CCCCC4)C(=O)O)O)O)O)O.[Na+]

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H](CCO[C@@H]2CNS(=O)(=O)[O-])O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H](CC4CCCCC4)C(=O)O)O)O)O)O.[Na+]

InChI

InChI=1S/C27H47NO17S.Na/c1-12-18(30)20(32)21(33)26(41-12)45-23-14(7-8-40-16(23)10-28-46(37,38)39)43-27-22(34)24(19(31)17(11-29)44-27)42-15(25(35)36)9-13-5-3-2-4-6-13;/h12-24,26-34H,2-11H2,1H3,(H,35,36)(H,37,38,39);/q;+1/p-1/t12-,14+,15-,16+,17+,18+,19-,20+,21-,22+,23-,24-,26-,27+;/m0./s1