Nucleosides & Nucleotides

Cas#: 148892-91-5       

Formula:  C₁₀H₁₄N₆Na₃O₁₃P₃ · xH₂O        Molecular Weight: 588.14 (anhydrous basis)

IUPAC Name: trisodium;[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-[[hydroxy(oxido)phosphoryl]amino]phosphinate

SMILES: [Na+].[Na+].[Na+].Nc1nc(O)c2ncn([C@@H]3O[C@H](COP([O-])(=O)OP([O-])(=O)NP(O)([O-])=O)[C@@H](O)[C@H]3O)c2n1

InChIKey: QGJNRMUNXAROIT-CYCLDIHTSA-K

InChI: InChI=1S/C10H17N6O13P3.3Na/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22;;;/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24);;;/q;3*+1/p-3/t3-,5-,6-,9-;;;/m1.../s1

Cas#: 26763-19-9       

Formula:  C₁₀H₁₃KN₅O₇P        Molecular Weight: 385.31

IUPAC Name: potassium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)[O-])O)O)N.[K+]

InChIKey: WADAUMZGCLRVDM-MCDZGGTQSA-M

InChI: InChI=1S/C10H14N5O7P.K/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);/q;+1/p-1/t4-,6-,7-,10-;/m1./s1

Cas#: 3249-92-1        Compound CID:  135742139

Formula:  C₁₀H₁₁BaN₄O₈P·xH₂O        Molecular Weight: 483.52

IUPAC Name: barium(2+);[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate

SMILES: C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Ba+2]

InChIKey: XRBNGVUPCIBZIL-MCDZGGTQSA-L

InChI: InChI=1S/C10H13N4O8P.Ba/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);/q;+2/p-2/t4-,6-,7-,10-;/m1./s1

Cas#: 109921-28-0        Compound CID:  168006536

Formula:  C₁₂H₂₀N₃O₁₄P₃·xNa+        Molecular Weight: 523.22 (free acid basis)

SMILES: C1[C@@H]([C@H](O[C@H]1N2CC(C(=O)NC2=O)/C=C/CN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O.N

Cas#: 936327-10-5        Compound CID:  76420074

Formula:  C₁₂H₁₉N₃Na₃O₁₄P₃        Molecular Weight: 591.18

IUPAC Name: trisodium;[[[5-[5-(3-aminoprop-1-enyl)-2,4-dioxo-1,3-diazinan-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate

SMILES: C1C(C(OC1N2CC(C(=O)NC2=O)C=CCN)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+].[Na+]

InChIKey: AAJNICVUBCOHMY-UHFFFAOYSA-K

InChI: InChI=1S/C12H22N3O14P3.3Na/c13-3-1-2-7-5-15(12(18)14-11(7)17)10-4-8(16)9(27-10)6-26-31(22,23)29-32(24,25)28-30(19,20)21;;;/h1-2,7-10,16H,3-6,13H2,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21);;;/q;3*+1/p-3