[(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-azanyl-5-[(2R,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-6-[[2-azanylethoxy(oxidanyl)phosphoryl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl]oxy-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] 6-sulfanylhexyl hydrogen phosphate

Systemtic Name: [(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-azanyl-5-[(2R,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-6-[[2-azanylethoxy(oxidanyl)phosphoryl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl]oxy-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] 6-sulfanylhexyl hydrogen phosphate Openeye Name: [(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-5-[(2R,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-6-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,4,5,6-tetrahydroxy-cyclohexyl] 6-sulfanylhexyl hydrogen phosphate CAS Name: [(1R,2R,3S,4R,5R,6R)-2-[[(2R,3R,4R,5S,6R)-3-amino-5-[[(2R,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-3-[[(2R,3S,4S,5S,6R)-6-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-4-hydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4,5,6-tetrahydroxycyclohexyl] 6-mercaptohexyl hydrogen phosphate IUPAC Name: [(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-5-[(2R,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-6-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydroxycyclohexyl] 6-sulfanylhexyl hydrogen phosphate Traditional Name: [(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-5-[(2R,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-6-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3,4,5,6-tetrahydroxy-cyclohexyl] 6-mercaptohexyl hydrogen phosphate Formula: C38H72N2O31P2S MolecularWeight: 1146.985602

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCS)CCOP(=O)(O)OC1C(C(C(C(C1OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)COP(=O)(O)OCCN)O)O)O)O)O)O)O)N)O)O)O)O

Isomeric SMILES

C(CCCS)CCOP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)COP(=O)(O)OCCN)O)O)O)O)O)O)O)N)O)O)O)O

InChI

InChI=1S/C38H72N2O31P2S/c39-5-7-62-72(56,57)63-12-16-20(45)23(48)30(55)37(67-16)70-34-26(51)18(43)13(9-41)64-38(34)60-11-15-19(44)22(47)29(54)36(66-15)68-31-14(10-42)65-35(17(40)21(31)46)69-32-27(52)24(49)25(50)28(53)33(32)71-73(58,59)61-6-3-1-2-4-8-74/h13-38,41-55,74H,1-12,39-40H2,(H,56,57)(H,58,59)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24-,25-,26+,27+,28-,29+,30+,31-,32-,33-,34+,35-,36-,37-,38+/m1/s1