[(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5R,6S)-6-[[(3aS,4R,5S,6S,7R,7aR)-2,5,6,7-tetrakis(oxidanyl)-2-oxidanylidene-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphol-4-yl]oxy]-5-azanyl-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-4,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-3-yl]oxy-5-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methyl hydrogen sulfate

Systemtic Name: [(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5R,6S)-6-[[(3aS,4R,5S,6S,7R,7aR)-2,5,6,7-tetrakis(oxidanyl)-2-oxidanylidene-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphol-4-yl]oxy]-5-azanyl-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-4,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-3-yl]oxy-5-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methyl hydrogen sulfate Openeye Name: [(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5R,6S)-6-[[(3aS,4R,5S,6S,7R,7aR)-2,5,6,7-tetrahydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphol-4-yl]oxy]-5-amino-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-4,5-dihydroxy-6-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl hydrogen sulfate CAS Name: sulfuric acid [(2R,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[[(2R,3S,4R,5R,6S)-6-[[(3aS,4R,5S,6S,7R,7aR)-2,5,6,7-tetrahydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphol-4-yl]oxy]-5-amino-4-hydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-4,5-dihydroxy-6-(sulfooxymethyl)-3-oxanyl]oxy]-3,4-dihydroxy-5-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5R,6S)-6-[[(3aS,4R,5S,6S,7R,7aR)-2,5,6,7-tetrahydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphol-4-yl]oxy]-5-amino-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(sulfooxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate Traditional Name: sulfuric acid [(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5R,6S)-6-[[(3aS,4R,5S,6S,7R,7aR)-2,5,6,7-tetrahydroxy-2-keto-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphol-4-yl]oxy]-5-amino-4-hydroxy-2-methylol-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-4,5-dihydroxy-6-(sulfoxymethyl)tetrahydropyran-3-yl]oxy-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C36H62NO38PS2 MolecularWeight: 1211.965141

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OCC4C(C(C(C(O4)OC5C(OC(C(C5O)N)OC6C(C(C(C7C6OP(=O)(O7)O)O)O)O)CO)O)O)O)COS(=O)(=O)O)O)O)COS(=O)(=O)O)O)O)O)O)O)O

Isomeric SMILES

C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2O[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OC[C@@H]4[C@H]([C@@H]([C@@H]([C@H](O4)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)N)O[C@@H]6[C@H]([C@@H]([C@H]([C@@H]7[C@H]6OP(=O)(O7)O)O)O)O)CO)O)O)O)COS(=O)(=O)O)O)O)COS(=O)(=O)O)O)O)O)O)O)O

InChI

InChI=1S/C36H62NO38PS2/c37-11-16(44)26(7(2-39)66-32(11)71-27-22(50)19(47)23(51)28-31(27)75-76(54,55)74-28)70-34-25(53)18(46)13(41)8(67-34)3-62-35-29(20(48)14(42)9(68-35)4-63-77(56,57)58)73-36-30(21(49)15(43)10(69-36)5-64-78(59,60)61)72-33-24(52)17(45)12(40)6(1-38)65-33/h6-36,38-53H,1-5,37H2,(H,54,55)(H,56,57,58)(H,59,60,61)/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17+,18+,19+,20+,21+,22+,23-,24+,25+,26-,27-,28-,29+,30+,31+,32+,33-,34-,35+,36-/m1/s1