[[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-[[[2,2-dimethylpropanoyloxymethoxy(oxidanyl)phosphoryl]-bis(fluoranyl)methyl]-oxidanyl-phosphoryl]oxy-phosphoryl]boron

Systemtic Name: [[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-[[[2,2-dimethylpropanoyloxymethoxy(oxidanyl)phosphoryl]-bis(fluoranyl)methyl]-oxidanyl-phosphoryl]oxy-phosphoryl]boron Openeye Name: [[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-[[[2,2-dimethylpropanoyloxymethoxy(hydroxy)phosphoryl]-difluoro-methyl]-hydroxy-phosphoryl]oxy-phosphoryl]boron CAS Name: [[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-[[[(2,2-dimethyl-1-oxopropoxy)methoxy-hydroxyphosphoryl]-difluoromethyl]-hydroxyphosphoryl]oxyphosphoryl]boron IUPAC Name: [[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[[2,2-dimethylpropanoyloxymethoxy(hydroxy)phosphoryl]-difluoromethyl]-hydroxyphosphoryl]oxyphosphoryl]boron Traditional Name: [[(2S,3S,5R)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-[[difluoro-[hydroxy(pivaloyloxymethoxy)phosphoryl]methyl]-hydroxy-phosphoryl]oxy-phosphoryl]boron Formula: C17H25BF2N5O13P3 MolecularWeight: 649.135189

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Descriptors Computed from Structure

Canonical SMILES:

[B]P(=O)(OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OP(=O)(C(F)(F)P(=O)(O)OCOC(=O)C(C)(C)C)O

Isomeric SMILES

[B]P(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OP(=O)(C(F)(F)P(=O)(O)OCOC(=O)C(C)(C)C)O

InChI

InChI=1S/C17H25BF2N5O13P3/c1-9-6-25(15(28)22-13(9)26)12-5-10(23-24-21)11(37-12)7-35-41(18,33)38-40(31,32)17(19,20)39(29,30)36-8-34-14(27)16(2,3)4/h6,10-12H,5,7-8H2,1-4H3,(H,29,30)(H,31,32)(H,22,26,28)/t10-,11+,12+,41?/m0/s1