[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[bis(chloranyloxy)phosphorylmethyl]phosphinic acid

Systemtic Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[bis(chloranyloxy)phosphorylmethyl]phosphinic acid Openeye Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-(dichlorooxyphosphorylmethyl)phosphinic acid CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-(dichlorooxyphosphorylmethyl)phosphinic acid IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(dichlorooxyphosphorylmethyl)phosphinic acid Traditional Name: [[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-(dichlorooxyphosphorylmethyl)phosphinic acid Formula: C11H16Cl2N5O12P3 MolecularWeight: 574.098323

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(OCl)OCl)O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(OCl)OCl)O)O)O

InChI

InChI=1S/C11H16Cl2N5O12P3/c12-28-32(23,29-13)4-31(21,22)30-33(24,25)26-1-5-7(19)8(20)11(27-5)18-3-17-6-9(14)15-2-16-10(6)18/h2-3,5,7-8,11,19-20H,1,4H2,(H,21,22)(H,24,25)(H2,14,15,16)/t5-,7-,8-,11-/m1/s1