[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R,4S,5R,6R)-6-[(4-methanoylphenoxy)methyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate

Systemtic Name: [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R,4S,5R,6R)-6-[(4-methanoylphenoxy)methyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate Openeye Name: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3R,4S,5R,6R)-6-[(4-formylphenoxy)methyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl] hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(3R,4S,5R,6R)-6-[(4-formylphenoxy)methyl]-3,4,5-trihydroxy-2-oxanyl] hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R,4S,5R,6R)-6-[(4-formylphenoxy)methyl]-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate Traditional Name: [[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3R,4S,5R,6R)-6-[(4-formylphenoxy)methyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl] hydrogen phosphate Formula: C22H28N2O18P2 MolecularWeight: 670.407842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=O)OCC2C(C(C(C(O2)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O)O

Isomeric SMILES

C1=CC(=CC=C1C=O)OC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O

InChI

InChI=1S/C22H28N2O18P2/c25-7-10-1-3-11(4-2-10)37-8-12-15(27)17(29)19(31)21(40-12)41-44(35,36)42-43(33,34)38-9-13-16(28)18(30)20(39-13)24-6-5-14(26)23-22(24)32/h1-7,12-13,15-21,27-31H,8-9H2,(H,33,34)(H,35,36)(H,23,26,32)/t12-,13-,15+,16-,17+,18-,19-,20-,21?/m1/s1