About sodium;(2R,4R,5R)-2-[[(3R,4R,6R)-3,4-dihydroxy-5,6-dimethyloxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;N-[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;(3S)-4-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-methylbutan-2-one;(2S,5S,6S)-2-[(3S,4R)-2-(hydroxymethyl)-5,6-dimethyl-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
sodium;(2R,4R,5R)-2-[[(3R,4R,6R)-3,4-dihydroxy-5,6-dimethyloxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;N-[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;(3S)-4-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-methylbutan-2-one;(2S,5S,6S)-2-[(3S,4R)-2-(hydroxymethyl)-5,6-dimethyl-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol (PubChem CID 160703906) has the molecular formula C77H136NNaO50
and a molecular weight of 1898.88 g/mol. Its IUPAC name is sodium;(2R,4R,5R)-2-[[(3R,4R,6R)-3,4-dihydroxy-5,6-dimethyloxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;N-[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;(3S)-4-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-methylbutan-2-one;(2S,5S,6S)-2-[(3S,4R)-2-(hydroxymethyl)-5,6-dimethyl-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Frequently Asked Questions
What is the IUPAC name of sodium;(2R,4R,5R)-2-[[(3R,4R,6R)-3,4-dihydroxy-5,6-dimethyloxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;N-[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;(3S)-4-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-methylbutan-2-one;(2S,5S,6S)-2-[(3S,4R)-2-(hydroxymethyl)-5,6-dimethyl-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol?
The IUPAC name of sodium;(2R,4R,5R)-2-[[(3R,4R,6R)-3,4-dihydroxy-5,6-dimethyloxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;N-[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;(3S)-4-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-methylbutan-2-one;(2S,5S,6S)-2-[(3S,4R)-2-(hydroxymethyl)-5,6-dimethyl-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol (CID 160703906) is sodium;(2R,4R,5R)-2-[[(3R,4R,6R)-3,4-dihydroxy-5,6-dimethyloxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;N-[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;(3S)-4-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-methylbutan-2-one;(2S,5S,6S)-2-[(3S,4R)-2-(hydroxymethyl)-5,6-dimethyl-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
What is the SMILES notation for sodium;(2R,4R,5R)-2-[[(3R,4R,6R)-3,4-dihydroxy-5,6-dimethyloxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;N-[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;(3S)-4-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-methylbutan-2-one;(2S,5S,6S)-2-[(3S,4R)-2-(hydroxymethyl)-5,6-dimethyl-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol?
The canonical SMILES for sodium;(2R,4R,5R)-2-[[(3R,4R,6R)-3,4-dihydroxy-5,6-dimethyloxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;N-[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;(3S)-4-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-methylbutan-2-one;(2S,5S,6S)-2-[(3S,4R)-2-(hydroxymethyl)-5,6-dimethyl-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol is CC(=O)NC1[C@H](O[C@@H]2C(O)[C@@H](O[C@H]3C(CO)O[C@@H](O[C@@H]4C(CO)OC(C)C(O)[C@H]4O)C(O)[C@H]3O)OC(CO)[C@@H]2O)OC(CO)[C@H](O)[C@@H]1O.CC(=O)[C@@H](C)CO[C@H]1OC(CO)[C@H](O)[C@H](O)C1C.CC1OC(CO)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)C(O)C2O)[C@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)C1C.CC1[C@@H](O)[C@@H](O)C(CO[C@]2(C(=O)[O-])C[C@@H](O)[C@@H](C)C([C@H](O)[C@H](O)CO)O2)O[C@@H]1C.[Na+].
What is the InChIKey of sodium;(2R,4R,5R)-2-[[(3R,4R,6R)-3,4-dihydroxy-5,6-dimethyloxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;N-[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;(3S)-4-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-methylbutan-2-one;(2S,5S,6S)-2-[(3S,4R)-2-(hydroxymethyl)-5,6-dimethyl-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol?
The InChIKey is RQYXFGUZJMDONP-FYVVVDEZSA-M. The full InChI is InChI=1S/C27H47NO20.C20H36O13.C18H32O11.C12H22O6.Na/c1-7-14(34)18(38)22(11(5-31)42-7)46-26-20(40)19(39)23(12(6-32)45-26)47-27-21(41)24(16(36)10(4-30)44-27)48-25-13(28-8(2)33)17(37)15(35)9(3-29)43-25;1-6-7(2)29-10(5-22)18(33-19-15(27)13(25)11(23)8(3)30-19)17(6)32-20-16(28)14(26)12(24)9(4-21)31-20;1-7-9(3)28-12(15(24)13(7)22)6-27-18(17(25)26)4-10(20)8(2)16(29-18)14(23)11(21)5-19;1-6(8(3)14)5-17-12-7(2)10(15)11(16)9(4-13)18-12;/h7,9-27,29-32,34-41H,3-6H2,1-2H3,(H,28,33);6-28H,4-5H2,1-3H3;7-16,19-24H,4-6H2,1-3H3,(H,25,26);6-7,9-13,15-16H,4-5H2,1-3H3;/q;;;;+1/p-1/t7?,9?,10?,11?,12?,13?,14?,15-,16-,17+,18+,19+,20?,21?,22+,23-,24-,25-,26-,27+;6?,7?,8-,9?,10?,11+,12-,13?,14-,15?,16?,17+,18+,19-,20-;7?,8-,9-,10-,11-,12?,13-,14-,15+,16?,18-;6-,7?,9?,10+,11-,12-;/m0010./s1.
What are the key properties of sodium;(2R,4R,5R)-2-[[(3R,4R,6R)-3,4-dihydroxy-5,6-dimethyloxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;N-[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;(3S)-4-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-methylbutan-2-one;(2S,5S,6S)-2-[(3S,4R)-2-(hydroxymethyl)-5,6-dimethyl-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol?
sodium;(2R,4R,5R)-2-[[(3R,4R,6R)-3,4-dihydroxy-5,6-dimethyloxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;N-[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;(3S)-4-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-methylbutan-2-one;(2S,5S,6S)-2-[(3S,4R)-2-(hydroxymethyl)-5,6-dimethyl-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol has a molecular weight of 1898.88 g/mol, XLogP of -20.33, 29 rotatable bonds, 30 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2R,4R,5R)-2-[[(3R,4R,6R)-3,4-dihydroxy-5,6-dimethyloxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;N-[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;(3S)-4-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-methylbutan-2-one;(2S,5S,6S)-2-[(3S,4R)-2-(hydroxymethyl)-5,6-dimethyl-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 160703906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).