[(2R,3S,5R)-2-(azidooxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] phosphono hydrogen phosphate; 15-[1,2-bis(oxidanyl)ethyl]-15-oxidanyl-nonacosane-14,16-dione

Systemtic Name: [(2R,3S,5R)-2-(azidooxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] phosphono hydrogen phosphate; 15-[1,2-bis(oxidanyl)ethyl]-15-oxidanyl-nonacosane-14,16-dione Openeye Name: [(2R,3S,5R)-2-(azidooxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] phosphono hydrogen phosphate; 15-(1,2-dihydroxyethyl)-15-hydroxy-nonacosane-14,16-dione CAS Name: [(2R,3S,5R)-2-(azidooxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] phosphono hydrogen phosphate; 15-(1,2-dihydroxyethyl)-15-hydroxynonacosane-14,16-dione IUPAC Name: [(2R,3S,5R)-2-(azidooxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphono hydrogen phosphate; 15-(1,2-dihydroxyethyl)-15-hydroxynonacosane-14,16-dione Traditional Name: [(2R,3S,5R)-2-(azidooxymethyl)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl] phosphono hydrogen phosphate; 15-(1,2-dihydroxyethyl)-15-hydroxy-nonacosane-14,16-dione Formula: C41H75N5O16P2 MolecularWeight: 956.005622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C(C(CO)O)(C(=O)CCCCCCCCCCCCC)O.CC1=CN(C(=O)NC1=O)C2CC(C(O2)CON=[N+]=[N-])OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C(C(CO)O)(C(=O)CCCCCCCCCCCCC)O.CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CON=[N+]=[N-])OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C31H60O5.C10H15N5O11P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-28(33)31(36,30(35)27-32)29(34)26-24-22-20-18-16-14-12-10-8-6-4-2;1-5-3-15(10(17)12-9(5)16)8-2-6(7(24-8)4-23-14-13-11)25-28(21,22)26-27(18,19)20/h30,32,35-36H,3-27H2,1-2H3;3,6-8H,2,4H2,1H3,(H,21,22)(H,12,16,17)(H2,18,19,20)/t;6-,7+,8+/m.0/s1