sodium [(2R,3S,5R)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: sodium [(2R,3S,5R)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate Openeye Name: sodium [(2R,3S,5R)-5-(6-amino-8-bromo-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: sodium [(2R,3S,5R)-5-(6-amino-8-bromo-9-purinyl)-3-hydroxy-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: sodium [(2R,3S,5R)-5-(6-amino-8-bromopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate Traditional Name: sodium [(2R,3S,5R)-5-(6-amino-8-bromo-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C10H12BrN5NaO6P MolecularWeight: 432.099711

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C3=C(C(=NC=N3)N)N=C2Br)COP(=O)(O)[O-])O.[Na+]

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=NC=N3)N)N=C2Br)COP(=O)(O)[O-])O.[Na+]

InChI

InChI=1S/C10H13BrN5O6P.Na/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(17)5(22-6)2-21-23(18,19)20;/h3-6,17H,1-2H2,(H2,12,13,14)(H2,18,19,20);/q;+1/p-1/t4-,5+,6+;/m0./s1