[5-[[2,4-bis(oxidanylidene)-6-[[(2S,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentyl]amino]-1H-pyrimidin-5-yl]amino]-5-oxidanylidene-pentyl] dihydrogen phosphate

Systemtic Name: [5-[[2,4-bis(oxidanylidene)-6-[[(2S,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentyl]amino]-1H-pyrimidin-5-yl]amino]-5-oxidanylidene-pentyl] dihydrogen phosphate Openeye Name: [5-[[2,4-dioxo-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidin-5-yl]amino]-5-oxo-pentyl] dihydrogen phosphate CAS Name: [5-[[2,4-dioxo-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidin-5-yl]amino]-5-oxopentyl] dihydrogen phosphate IUPAC Name: [5-[[2,4-dioxo-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidin-5-yl]amino]-5-oxopentyl] dihydrogen phosphate Traditional Name: [5-[[2,4-diketo-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidin-5-yl]amino]-5-keto-pentyl] dihydrogen phosphate Formula: C14H25N4O11P MolecularWeight: 456.342261

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Descriptors Computed from Structure

Canonical SMILES:

C(CCOP(=O)(O)O)CC(=O)NC1=C(NC(=O)NC1=O)NCC(C(C(CO)O)O)O

Isomeric SMILES

C(CCOP(=O)(O)O)CC(=O)NC1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O

InChI

InChI=1S/C14H25N4O11P/c19-6-8(21)11(23)7(20)5-15-12-10(13(24)18-14(25)17-12)16-9(22)3-1-2-4-29-30(26,27)28/h7-8,11,19-21,23H,1-6H2,(H,16,22)(H2,26,27,28)(H3,15,17,18,24,25)/t7-,8+,11-/m0/s1