Nucleosides & Nucleotides

Cas#: 7057-48-9        Compound CID:  64975

Formula:  C₁₀H₁₁N₅O₂        Molecular Weight: 233.23

IUPAC Name: [(2S,5R)-5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methanol

SMILES: C1=CC(OC1CO)N2C=NC3=C(N=CN=C32)N

InChIKey: JFUOUIPRAAGUGF-NKWVEPMBSA-N

InChI: InChI=1S/C10H11N5O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h1-2,4-7,16H,3H2,(H2,11,12,13)/t6-,7+/m0/s1

Cas#: 1927-31-7       

Formula:  C₁₀H₁₃N₅Na₃O₁₂P₃(anhydrous)        Molecular Weight: 557.13(anhydrous)

IUPAC Name: [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+].[Na+]

InChIKey: SUYVUBYJARFZHO-RRKCRQDMSA-N

InChI: InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1

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#: 1330265-04-7       

Formula:  C₃13C₂H₄N₃¹⁵NO        Molecular Weight: 139.09

IUPAC Name: 1,7-dihydropurin-6-one

SMILES: C1=NC2=C(N1)C(=O)NC=N2

InChIKey: FDGQSTZJBFJUBT-JYLXJXPXSA-N

InChI: InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)/i3+1,4+1,6+1

Cas#: 130-49-4        Compound CID:  94136

Formula:  C₁₀H₁₄N₅O₇P        Molecular Weight: 347.22

IUPAC Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate

SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)OP(=O)(O)O)N

InChIKey: QDFHPFSBQFLLSW-KQYNXXCUSA-N

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

Cas#: 69785-94-0       

Formula:  C₄H₅N₃O        Molecular Weight: 111.10

IUPAC Name: 5-amino-1H-pyrimidin-6-one

SMILES: C1=C(C(=O)NC=N1)N

InChIKey: XWLBYEBHQNSCKA-UHFFFAOYSA-N

InChI: InChI=1S/C4H5N3O/c5-3-1-6-2-7-4(3)8/h1-2H,5H2,(H,6,7,8)

Cas#: 26936-41-4        Compound CID:  137031715

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

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

InChIKey: AWOLVHQZOSVDSL-MCDZGGTQSA-M

InChI: InChI=1S/C10H13N4O8P.K/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;+1/p-1/t4-,6-,7-,10-;/m1./s1

Cas#: 81012-88-6        Compound CID:  136259513

Formula:  C₁₀H₁₁N₄Na₃O₁₁P₂        Molecular Weight: 494.13

IUPAC Name: trisodium;[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate;hydrate

SMILES: [Na+].[Na+].[Na+].O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])([O-])=O)n2cnc3C(=O)NC=Nc23

InChIKey: NXYWEBMWTONTES-KWIZKVQNSA-K

InChI: InChI=1S/C10H14N4O11P2.3Na.H2O/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;;;/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20);;;;1H2/q;3*+1;/p-3/t4-,6-,7-,10-;;;;/m1..../s1

Cas#: 50924-49-7        Compound CID:  104762

Formula:  C₉H₁₃N₃O₆        Molecular Weight: 259.22

IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide

SMILES: C1=NC(=C(N1C2C(C(C(O2)CO)O)O)O)C(=O)N

InChIKey: HZQDCMWJEBCWBR-UUOKFMHZSA-N

InChI: InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1

Cas#: 33430-62-5        Compound CID:  153672

Formula:  C₁₀H₁₃N₂Na₂O₈P·xH₂O        Molecular Weight: 366.17 (anhydrous basis)

IUPAC Name: disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate

SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)([O-])[O-])O.[Na+].[Na+]

InChIKey: AGSQMPPRYZYDFV-ZJWYQBPBSA-L

InChI: InChI=1S/C10H15N2O8P.2Na/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18;;/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18);;/q;2*+1/p-2/t6-,7+,8+;;/m0../s1

Cas#: 5624-35-1        Compound CID:  136666669

Formula:  C₂₁H₂₈N₇O₁₅P₂・xNa        Molecular Weight: 703.42

IUPAC Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phosphate

SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)CO)OP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=C(NC5=O)N)O)O)O)C(=O)N

InChIKey: RBWWFYZGVSCDOU-NAJQWHGHSA-N

InChI: InChI=1S/C21H27N7O15P2/c22-16(33)8-2-1-3-27(4-8)19-14(32)15(9(5-29)40-19)42-45(37,38)43-44(35,36)39-6-10-12(30)13(31)20(41-10)28-7-24-11-17(28)25-21(23)26-18(11)34/h1-4,7,9-10,12-15,19-20,29-32H,5-6H2,(H6-,22,23,25,26,33,34,35,36,37,38)/t9-,10-,12-,13-,14-,15-,19-,20-/m1/s1

Cas#: 141684-35-7       

Formula:  C₄₀H₄₇N₆O₇P        Molecular Weight: 754.82

IUPAC Name: 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

SMILES: CC(C)N(C(C)C)P(OCCC#N)OC1CC(OC1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=NC6=C5N=CNC6=O

InChIKey: ZKGZROFWRPJVEB-XZYUMQGLSA-N

InChI: InChI=1S/C40H47N6O7P/c1-27(2)46(28(3)4)54(51-22-10-21-41)53-34-23-36(45-26-44-37-38(45)42-25-43-39(37)47)52-35(34)24-50-40(29-11-8-7-9-12-29,30-13-17-32(48-5)18-14-30)31-15-19-33(49-6)20-16-31/h7-9,11-20,25-28,34-36H,10,22-24H2,1-6H3,(H,42,43,47)/t34-,35+,36+,54?/m0/s1