Nucleosides & Nucleotides

Cas#: 94825-44-2        Compound CID:  135445735

Formula:  C₁₀H₁₆N₅O₁₃P₃S • 4Li        Molecular Weight: 567

IUPAC Name: tetralithium;[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] dioxidophosphinothioyl phosphate

SMILES: [Li+].[Li+].[Li+].[Li+].C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=S)([O-])[O-])O)O)N=C(NC2=O)N

InChIKey: AMQXJFWJOAWCPV-ZVQJTLEUSA-J

InChI: InChI=1S/C10H16N5O13P3S.4Li/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32;;;;/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18);;;;/q;4*+1/p-4/t3-,5-,6-,9-;;;;/m1..../s1

Cas#: 314-50-1        Compound CID:  92751

Formula:  C₁₀H₁₂N₂O₈        Molecular Weight: 288.21

IUPAC Name: 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylic acid

SMILES: C1=C(N(C(=O)NC1=O)C2C(C(C(O2)CO)O)O)C(=O)O

InChIKey: FKCRAVPPBFWEJD-XVFCMESISA-N

InChI: InChI=1S/C10H12N2O8/c13-2-4-6(15)7(16)8(20-4)12-3(9(17)18)1-5(14)11-10(12)19/h1,4,6-8,13,15-16H,2H2,(H,17,18)(H,11,14,19)/t4-,6-,7-,8-/m1/s1

Cas#: 20244-86-4        Compound CID:  135445750

Formula:  C₁₁H₁₆N₅O₅+        Molecular Weight: 298.28

IUPAC Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-1H-purin-9-ium-6-one

SMILES: CN1C=[N+](C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)CO)O)O

InChIKey: OGHAROSJZRTIOK-KQYNXXCUSA-O

InChI: InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1

Cas#: 7415-69-2        Compound CID:  135818279

Formula:  C₁₀H₁₃N₅O₁₁P₂Na₂        Molecular Weight: 487.17

IUPAC Name: disodium;[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate

SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])OP(=O)(O)[O-])O)O)N=C(NC2=O)N.[Na+].[Na+]

InChIKey: LTZCGDIGAHOTKN-LGVAUZIVSA-L

InChI: InChI=1S/C10H15N5O11P2.2Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21;;/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18);;/q;2*+1/p-2/t3-,5-,6-,9-;;/m1../s1

Cas#: 56001-37-7        Compound CID:  135465086

Formula:  C₁₀H₁₄N₅Na₂O₁₄P₃        Molecular Weight: 567.15

IUPAC Name: disodium;[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphono phosphate

SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)O)O)O)N=C(NC2=O)N.[Na+].[Na+]

InChIKey: FIZIYLKEXVIRHJ-LGVAUZIVSA-L

InChI: InChI=1S/C10H16N5O14P3.2Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21;;/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18);;/q;2*+1/p-2/t3-,5-,6-,9-;;/m1../s1

Cas#: 108321-53-5        Compound CID:  6133

Molecular Weight: 484.14

SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

Cas#: 86-08-8        Compound CID:  123926

Formula:  C₂₂H₂₈N₆O₁₄P₂        Molecular Weight: 662.44

IUPAC Name: [(2R,3S,4R,5R)-5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate

SMILES: CC(=O)C1=C[N+](=CC=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O

InChIKey: KPVQNXLUPNWQHM-RBEMOOQDSA-N

InChI: InChI=1S/C22H28N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1

Cas#: 53-83-8        Compound CID:  3034391

Formula:  C₁₀H₁₃N₄O₇PS        Molecular Weight: 364.27

IUPAC Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate

SMILES: C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O

InChIKey: ZKRFOXLVOKTUTA-KQYNXXCUSA-N

InChI: InChI=1S/C10H13N4O7PS/c15-6-4(1-20-22(17,18)19)21-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)23/h2-4,6-7,10,15-16H,1H2,(H,11,12,23)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1

Cas#: 53-59-8        Compound CID:  5885

Formula:  C₂₁H₂₈N₇O₁₇P₃        Molecular Weight: 743.41

IUPAC Name: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate

SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N

InChIKey: XJLXINKUBYWONI-NNYOXOHSSA-N

InChI: InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

Cas#: 102029-73-2        Compound CID:  16218868

Formula:  C₂₃H₃₈N₇O₁₇P₃S·xNa        Molecular Weight: 809.57（free）

SMILES: CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O.[Na]

InChIKey: XGCDESRMLMCTPI-UHFFFAOYSA-N

InChI: InChI=1S/C23H38N7O17P3S.Na/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30;/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38);