[2-[(2R,3S,4R,5R)-5-(6-azanylpurin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,1-bis(fluoranyl)ethyl]-ethoxy-phosphinic acid

Systemtic Name: [2-[(2R,3S,4R,5R)-5-(6-azanylpurin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,1-bis(fluoranyl)ethyl]-ethoxy-phosphinic acid Openeye Name: [2-[(2R,3S,4R,5R)-5-(6-aminopurin-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-1,1-difluoro-ethyl]-ethoxy-phosphinic acid CAS Name: [2-[(2R,3S,4R,5R)-5-(6-amino-7-purinyl)-3,4-dihydroxy-2-oxolanyl]-1,1-difluoroethyl]-ethoxyphosphinic acid IUPAC Name: [2-[(2R,3S,4R,5R)-5-(6-aminopurin-7-yl)-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]-ethoxyphosphinic acid Traditional Name: [2-[(2R,3S,4R,5R)-5-(6-aminopurin-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-1,1-difluoro-ethyl]-ethoxy-phosphinic acid Formula: C13H18F2N5O6P MolecularWeight: 409.282487

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC1C(C(C(O1)N2C=NC3=C2C(=NC=N3)N)O)O)(F)F)O

Isomeric SMILES

CCOP(=O)(C(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2C(=NC=N3)N)O)O)(F)F)O

InChI

InChI=1S/C13H18F2N5O6P/c1-2-25-27(23,24)13(14,15)3-6-8(21)9(22)12(26-6)20-5-19-11-7(20)10(16)17-4-18-11/h4-6,8-9,12,21-22H,2-3H2,1H3,(H,23,24)(H2,16,17,18)/t6-,8-,9-,12-/m1/s1