[(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5R,6R)-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]-6-(hydroxymethyl)-4,5-bis(oxidanyl)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 2-azanylethyl hydrogen phosphate

Systemtic Name: [(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5R,6R)-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]-6-(hydroxymethyl)-4,5-bis(oxidanyl)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 2-azanylethyl hydrogen phosphate Openeye Name: [(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5R,6R)-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-(hydroxymethyl)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 2-aminoethyl hydrogen phosphate CAS Name: [(2R,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[[(2R,3S,4R,5R,6R)-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-(hydroxymethyl)-3-oxanyl]oxy]-3,4-dihydroxy-5-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]methyl 2-aminoethyl hydrogen phosphate IUPAC Name: [(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5R,6R)-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-(hydroxymethyl)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 2-aminoethyl hydrogen phosphate Traditional Name: [(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5R,6R)-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-methylol-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 2-aminoethyl hydrogen phosphate Formula: C38H68N2O35P2 MolecularWeight: 1174.886442

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Descriptors Computed from Structure

Canonical SMILES:

C(COP(=O)(O)OCC1C(C(C(C(O1)OC2C(C(C(OC2OCC3C(C(C(C(O3)OC4C(OC(C(C4O)N)OC5C(C(C(C6C5OP(=O)(O6)O)O)O)O)CO)O)O)O)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)O)N

Isomeric SMILES

C(COP(=O)(O)OC[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]2OC[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)N)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H]6[C@H]5OP(=O)(O6)O)O)O)O)CO)O)O)O)CO)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)N

InChI

InChI=1S/C38H68N2O35P2/c39-1-2-63-76(58,59)64-7-12-17(47)23(53)32(72-35-26(56)19(49)14(44)8(3-41)65-35)38(69-12)73-31-22(52)15(45)9(4-42)66-37(31)62-6-11-16(46)20(50)27(57)36(68-11)70-28-10(5-43)67-34(13(40)18(28)48)71-29-24(54)21(51)25(55)30-33(29)75-77(60,61)74-30/h8-38,41-57H,1-7,39-40H2,(H,58,59)(H,60,61)/t8-,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-,37+,38-/m1/s1