[2-(hydroxymethyl)-6-[2-(hydroxymethyl)-5-imidazol-1-yl-4-phosphonooxy-oxolan-3-yl]oxy-5-oxidanyl-3-phosphonooxy-oxan-4-yl] dihydrogen phosphate

Systemtic Name: [2-(hydroxymethyl)-6-[2-(hydroxymethyl)-5-imidazol-1-yl-4-phosphonooxy-oxolan-3-yl]oxy-5-oxidanyl-3-phosphonooxy-oxan-4-yl] dihydrogen phosphate Openeye Name: [4-[3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxy-tetrahydropyran-2-yl]oxy-5-(hydroxymethyl)-2-imidazol-1-yl-tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [4-[[3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxy-2-oxanyl]oxy]-5-(hydroxymethyl)-2-(1-imidazolyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [4-[3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxyoxan-2-yl]oxy-5-(hydroxymethyl)-2-imidazol-1-yloxolan-3-yl] dihydrogen phosphate Traditional Name: [3-hydroxy-2-(5-imidazol-1-yl-2-methylol-4-phosphonooxy-tetrahydrofuran-3-yl)oxy-6-methylol-5-phosphonooxy-tetrahydropyran-4-yl] dihydrogen phosphate Formula: C14H25N2O18P3 MolecularWeight: 602.272183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)C2C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O

Isomeric SMILES

C1=CN(C=N1)C2C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O

InChI

InChI=1S/C14H25N2O18P3/c17-3-6-9(12(34-37(26,27)28)13(29-6)16-2-1-15-5-16)31-14-8(19)11(33-36(23,24)25)10(7(4-18)30-14)32-35(20,21)22/h1-2,5-14,17-19H,3-4H2,(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)