Name: trisodium [(2R,3S,4R,5R)-5-[6-(diethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl dibromo(phosphonato)methylphosphonate
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HIT ID:HIT218643457
Cas No:
Common Name:trisodium [(2R,3S,4R,5R)-5-[6-(diethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl dibromo(phosphonato)methylphosphonate
Common Name:trisodium [(2R,3S,4R,5R)-5-[6-(diethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl dibromo(phosphonato)methylphosphonate
IUPAC:trisodium {[(2R,3S,4R,5R)-5-[6-(diethylamino)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl [dibromo(phosphonato)methyl]phosphonate
IUPAC:trisodium {[(2R,3S,4R,5R)-5-[6-(diethylamino)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl [dibromo(phosphonato)methyl]phosphonate
InChI key:KJYSFRKUFDOOSQ-TZRPAKANSA-K

Molecular Formula:C15H21Br2N5Na3O12P3
Molecular Weight:785.055
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:[Na+].[Na+].[Na+].[H][C@]1(COP(O)(=O)OP([O-])(=O)C(Br)(Br)P([O-])([O-])=O)O[C@@]([H])(n2cnc3c(ncnc23)N(CC)CC)[C@]([H])(O)[C@]1([H])O
SMILES:[Na+].[Na+].[Na+].[H][C@]1(COP(O)(=O)OP([O-])(=O)C(Br)(Br)P([O-])([O-])=O)O[C@@]([H])(n2cnc3c(ncnc23)N(CC)CC)[C@]([H])(O)[C@]1([H])O

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