[[[2-[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3-fluoranyl-4-(oxan-2-yloxy)oxolan-2-yl]-1,1-bis(fluoranyl)ethyl]-oxidanyl-phosphoryl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[[2-[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3-fluoranyl-4-(oxan-2-yloxy)oxolan-2-yl]-1,1-bis(fluoranyl)ethyl]-oxidanyl-phosphoryl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[[2-[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3-fluoro-4-tetrahydropyran-2-yloxy-tetrahydrofuran-2-yl]-1,1-difluoro-ethyl]-hydroxy-phosphoryl]-difluoro-methyl]phosphonic acid CAS Name: [[[2-[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3-fluoro-4-(2-oxanyloxy)-2-oxolanyl]-1,1-difluoroethyl]-hydroxyphosphoryl]-difluoromethyl]phosphonic acid IUPAC Name: [[[2-[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3-fluoro-4-(oxan-2-yloxy)oxolan-2-yl]-1,1-difluoroethyl]-hydroxyphosphoryl]-difluoromethyl]phosphonic acid Traditional Name: [[[2-[(2R,3R,4S,5R)-5-adenin-9-yl-3-fluoro-4-tetrahydropyran-2-yloxy-tetrahydrofuran-2-yl]-1,1-difluoro-ethyl]-hydroxy-phosphoryl]-difluoro-methyl]phosphonic acid Formula: C17H22F5N5O8P2 MolecularWeight: 581.324818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC2C(C(OC2N3C=NC4=C3N=CN=C4N)CC(F)(F)P(=O)(C(F)(F)P(=O)(O)O)O)F

Isomeric SMILES

C1CCOC(C1)O[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C3N=CN=C4N)CC(F)(F)P(=O)(C(F)(F)P(=O)(O)O)O)F

InChI

InChI=1S/C17H22F5N5O8P2/c18-10-8(5-16(19,20)36(28,29)17(21,22)37(30,31)32)34-15(12(10)35-9-3-1-2-4-33-9)27-7-26-11-13(23)24-6-25-14(11)27/h6-10,12,15H,1-5H2,(H,28,29)(H2,23,24,25)(H2,30,31,32)/t8-,9?,10-,12-,15-/m1/s1