sodium;9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine;N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-yl]benzamide;[(2R,4aR,7S,8R)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate;N-[9-[(3R,4S,6R)-5-[2-cyanoethoxy-(dipropylamino)phosphanyl]oxy-6-ethyl-4-fluorooxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-6-ethyl-4-fluoro-5-hydroxyoxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]purin-6-yl]benzamide;hydride;7H-purin-6-amine

C127H135F9N32NaO24PS — CID 157463292

IUPACsodium;9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine;N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-yl]benzamide;[(2R,4aR,7S,8R)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate;N-[9-[(3R,4S,6R)-5-[2-cyanoethoxy-(dipropylamino)phosphanyl]oxy-6-ethyl-4-fluorooxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-6-ethyl-4-fluoro-5-hydroxyoxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]purin-6-yl]benzamide;hydride;7H-purin-6-amine
SMILESCCCN(CCC)P(OCCC#N)OC1[C@@H](F)[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)CO[C@@H]1CC.CC[C@H]1OC[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](F)C1O.Nc1ncnc2c1ncn2[C@@H]1CO[C@@H]2CO[C@@H](c3ccccc3)OC2[C@H]1F.Nc1ncnc2nc[nH]c12.O=C(Nc1ncnc2c1ncn2[C@@H]1CO[C@@H]2CO[C@@H](c3ccccc3)OC2[C@H]1F)c1ccccc1.O=C(Nc1ncnc2c1ncn2[C@@H]1CO[C@H](CO)C(O)[C@H]1F)c1ccccc1.O=S(=O)(O[C@H]1CO[C@@H]2CO[C@@H](c3ccccc3)OC2[C@H]1F)C(F)(F)F.[H-].[Na+]
InChIInChI=1S/C28H37FN7O4P.C25H22FN5O4.C19H20FN5O3.C18H18FN5O4.C18H18FN5O3.C14H14F4O6S.C5H5N5.Na.H/c1-4-14-35(15-5-2)41(39-16-10-13-30)40-25-22(6-3)38-17-21(23(25)29)36-19-33-24-26(31-18-32-27(24)36)34-28(37)20-11-8-7-9-12-20;26-19-17(11-33-18-12-34-25(35-21(18)19)16-9-5-2-6-10-16)31-14-29-20-22(27-13-28-23(20)31)30-24(32)15-7-3-1-4-8-15;1-2-13-16(26)14(20)12(8-28-13)25-10-23-15-17(21-9-22-18(15)25)24-19(27)11-6-4-3-5-7-11;19-13-11(7-28-12(6-25)15(13)26)24-9-22-14-16(20-8-21-17(14)24)23-18(27)10-4-2-1-3-5-10;19-13-11(24-9-23-14-16(20)21-8-22-17(14)24)6-25-12-7-26-18(27-15(12)13)10-4-2-1-3-5-10;15-11-9(24-25(19,20)14(16,17)18)6-21-10-7-22-13(23-12(10)11)8-4-2-1-3-5-8;6-4-3-5(9-1-7-3)10-2-8-4;;/h7-9,11-12,18-19,21-23,25H,4-6,10,14-17H2,1-3H3,(H,31,32,34,37);1-10,13-14,17-19,21,25H,11-12H2,(H,27,28,30,32);3-7,9-10,12-14,16,26H,2,8H2,1H3,(H,21,22,24,27);1-5,8-9,11-13,15,25-26H,6-7H2,(H,20,21,23,27);1-5,8-9,11-13,15,18H,6-7H2,(H2,20,21,22);1-5,9-13H,6-7H2;1-2H,(H3,6,7,8,9,10);;/q;;;;;;;+1;-1/t21-,22-,23+,25?,41?;17-,18-,19+,21?,25-;12-,13-,14+,16?;11-,12-,13+,15?;11-,12-,13+,15?,18-;9-,10+,11-,12?,13+;;;/m111110.../s1
InChIKeyLULGGLJPRNJAIJ-MKZNRANSSA-N
MW2750.69 g/mol
LogP12.66
Rot. Bonds31

About sodium;9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine;N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-yl]benzamide;[(2R,4aR,7S,8R)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate;N-[9-[(3R,4S,6R)-5-[2-cyanoethoxy-(dipropylamino)phosphanyl]oxy-6-ethyl-4-fluorooxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-6-ethyl-4-fluoro-5-hydroxyoxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]purin-6-yl]benzamide;hydride;7H-purin-6-amine

sodium;9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine;N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-yl]benzamide;[(2R,4aR,7S,8R)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate;N-[9-[(3R,4S,6R)-5-[2-cyanoethoxy-(dipropylamino)phosphanyl]oxy-6-ethyl-4-fluorooxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-6-ethyl-4-fluoro-5-hydroxyoxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]purin-6-yl]benzamide;hydride;7H-purin-6-amine (PubChem CID 157463292) has the molecular formula C127H135F9N32NaO24PS and a molecular weight of 2750.69 g/mol. Its IUPAC name is sodium;9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine;N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-yl]benzamide;[(2R,4aR,7S,8R)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate;N-[9-[(3R,4S,6R)-5-[2-cyanoethoxy-(dipropylamino)phosphanyl]oxy-6-ethyl-4-fluorooxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-6-ethyl-4-fluoro-5-hydroxyoxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]purin-6-yl]benzamide;hydride;7H-purin-6-amine.

Molecular Properties

Compound Namesodium;9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine;N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-yl]benzamide;[(2R,4aR,7S,8R)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate;N-[9-[(3R,4S,6R)-5-[2-cyanoethoxy-(dipropylamino)phosphanyl]oxy-6-ethyl-4-fluorooxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-6-ethyl-4-fluoro-5-hydroxyoxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]purin-6-yl]benzamide;hydride;7H-purin-6-amine
PubChem CID157463292
Molecular FormulaC127H135F9N32NaO24PS
Molecular Weight2750.69 g/mol
Exact Mass2748.95
IUPAC Namesodium;9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine;N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-yl]benzamide;[(2R,4aR,7S,8R)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate;N-[9-[(3R,4S,6R)-5-[2-cyanoethoxy-(dipropylamino)phosphanyl]oxy-6-ethyl-4-fluorooxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-6-ethyl-4-fluoro-5-hydroxyoxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]purin-6-yl]benzamide;hydride;7H-purin-6-amine
SMILESCCCN(CCC)P(OCCC#N)OC1[C@@H](F)[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)CO[C@@H]1CC.CC[C@H]1OC[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](F)C1O.Nc1ncnc2c1ncn2[C@@H]1CO[C@@H]2CO[C@@H](c3ccccc3)OC2[C@H]1F.Nc1ncnc2nc[nH]c12.O=C(Nc1ncnc2c1ncn2[C@@H]1CO[C@@H]2CO[C@@H](c3ccccc3)OC2[C@H]1F)c1ccccc1.O=C(Nc1ncnc2c1ncn2[C@@H]1CO[C@H](CO)C(O)[C@H]1F)c1ccccc1.O=S(=O)(O[C@H]1CO[C@@H]2CO[C@@H](c3ccccc3)OC2[C@H]1F)C(F)(F)F.[H-].[Na+]
InChIInChI=1S/C28H37FN7O4P.C25H22FN5O4.C19H20FN5O3.C18H18FN5O4.C18H18FN5O3.C14H14F4O6S.C5H5N5.Na.H/c1-4-14-35(15-5-2)41(39-16-10-13-30)40-25-22(6-3)38-17-21(23(25)29)36-19-33-24-26(31-18-32-27(24)36)34-28(37)20-11-8-7-9-12-20;26-19-17(11-33-18-12-34-25(35-21(18)19)16-9-5-2-6-10-16)31-14-29-20-22(27-13-28-23(20)31)30-24(32)15-7-3-1-4-8-15;1-2-13-16(26)14(20)12(8-28-13)25-10-23-15-17(21-9-22-18(15)25)24-19(27)11-6-4-3-5-7-11;19-13-11(7-28-12(6-25)15(13)26)24-9-22-14-16(20-8-21-17(14)24)23-18(27)10-4-2-1-3-5-10;19-13-11(24-9-23-14-16(20)21-8-22-17(14)24)6-25-12-7-26-18(27-15(12)13)10-4-2-1-3-5-10;15-11-9(24-25(19,20)14(16,17)18)6-21-10-7-22-13(23-12(10)11)8-4-2-1-3-5-8;6-4-3-5(9-1-7-3)10-2-8-4;;/h7-9,11-12,18-19,21-23,25H,4-6,10,14-17H2,1-3H3,(H,31,32,34,37);1-10,13-14,17-19,21,25H,11-12H2,(H,27,28,30,32);3-7,9-10,12-14,16,26H,2,8H2,1H3,(H,21,22,24,27);1-5,8-9,11-13,15,25-26H,6-7H2,(H,20,21,23,27);1-5,8-9,11-13,15,18H,6-7H2,(H2,20,21,22);1-5,9-13H,6-7H2;1-2H,(H3,6,7,8,9,10);;/q;;;;;;;+1;-1/t21-,22-,23+,25?,41?;17-,18-,19+,21?,25-;12-,13-,14+,16?;11-,12-,13+,15?;11-,12-,13+,15?,18-;9-,10+,11-,12?,13+;;;/m111110.../s1
InChIKeyLULGGLJPRNJAIJ-MKZNRANSSA-N
XLogP12.66
TPSA701.21 Ų
H-Bond Donors10
H-Bond Acceptors51
Rotatable Bonds31
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002750.69
LogP ≤ 512.66
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze sodium;9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine;N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-yl]benzamide;[(2R,4aR,7S,8R)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate;N-[9-[(3R,4S,6R)-5-[2-cyanoethoxy-(dipropylamino)phosphanyl]oxy-6-ethyl-4-fluorooxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-6-ethyl-4-fluoro-5-hydroxyoxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]purin-6-yl]benzamide;hydride;7H-purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine;N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-yl]benzamide;[(2R,4aR,7S,8R)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate;3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile;N-[9-[(3R,4S,6R)-5-[2-cyanoethoxy(methyl)phosphanyl]oxy-6-(deuteriomethyl)-4-fluorooxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-6-(deuteriomethyl)-4-fluoro-5-hydroxyoxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]purin-6-yl]benzamide;hydride;methane;7H-purin-6-amine;bis(tritiooxymethane)
CID 157071649
[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] trifluoromethanesulfonate;[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3S,4R,5R)-2-[6-(dibenzoylamino)-2-nitropurin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3S,4R,5R)-2-[6-(dibenzoylamino)purin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate
CID 157339405
[(2S,3R,4R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-ethyl-3-methyloxolan-2-yl]methyl benzoate;[(2S,3R,4R,5R)-4,5-diacetyloxy-2-ethyl-3-methyloxolan-2-yl]methyl benzoate;(2R,3R,4R,5S)-5-ethyl-5-(hydroxymethyl)-4-methyl-2-[6-(tritylamino)purin-9-yl]oxolan-3-ol;N-[9-[(1S,3R,4S,7R)-1-ethyl-5-methoxy-7-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]purin-6-yl]benzamide;9-[(1S,3R,4S,7R)-1-ethyl-5-methoxy-7-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-N-tritylpurin-6-amine;[(2S,3R,4R,5R)-2-ethyl-3-methyl-4-(trifluoromethylsulfonyloxy)-5-[6-(tritylamino)purin-9-yl]oxolan-2-yl]methyl trifluoromethanesulfonate
CID 157557171
(1R,3R,7R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)spiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-7-ol;[(2R,4R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;9-[(1R,3R,7R)-1-ethyl-7-phenylmethoxyspiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-3-yl]purin-6-amine;N-[9-[(1R,3R,7R)-1-ethyl-7-phenylmethoxyspiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-3-yl]purin-6-yl]benzamide;N-[9-[(1R,3R,7R)-7-hydroxy-1-(hydroxymethyl)spiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-3-yl]purin-6-yl]benzamide
CID 157634323
9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2-amino-1H-purin-6-one;9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-6-iodopurin-2-amine;N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;[(2R,4aR,7S,8R)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate;3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile;bis(N-[9-[(3R,4S,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide);6-iodo-7H-purin-2-amine;tetrabutylazanium
CID 157758049
[(2R,3S,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-3-methyl-4-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl trifluoromethanesulfonate;N-[9-[(1S,3R,4R,7S)-7-[2-cyanoethoxy(methyl)phosphanyl]oxy-1-ethyl-5-(2-fluoroethoxy)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]purin-6-yl]benzamide;9-[(1R,3R,4R,7S)-1-ethyl-5-(2-fluoroethoxy)-7-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]purin-6-amine;N-[9-[(1R,3R,4R,7S)-5-(2-fluoroethoxy)-7-hydroxy-1-(hydroxymethyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]purin-6-yl]benzamide
CID 158019907
[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] trifluoromethanesulfonate;[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)-2-nitropurin-9-yl]oxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]oxolan-2-yl]methyl benzoate
CID 158105140
9-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-cyclopentylpurin-6-amine;[(2R,3R,4R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxymethylphosphonic acid;(2R,3R,4R,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;cyclopentanamine;[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(2,6-dichloropurin-9-yl)-4-methyloxolan-2-yl]methyl benzoate;2,6-dichloro-7H-purine;diethoxyphosphorylmethyl trifluoromethanesulfonate;2,2-dimethoxypropane;[(2R,3R,4R,5S)-3,4,5-tribenzoyloxy-4-methyloxolan-2-yl]methyl benzoate
CID 159544997
CID 159565705
CID 159565705
[(3S,5R)-2-acetyloxy-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,3S,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(2R,3S,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-oxo-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide
CID 159890913
sodium;9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine;N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-yl]benzamide;[(2R,4aR,7S,8R)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate;3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile;N-[9-[(3R,4S,6R)-5-[2-cyanoethoxy(methyl)phosphanyl]oxy-6-(deuteriomethyl)-4-fluorooxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-6-(deuteriomethyl)-4-fluoro-5-hydroxyoxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]purin-6-yl]benzamide;hydride;methane;7H-purin-6-amine;bis(tritiooxymethane)
CID 159999391
9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2-amino-1H-purin-6-one;9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-6-iodopurin-2-amine;N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;[(2R,4aR,7S,8R)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate;3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile;N-[9-[(3R,4S,6R)-6-(deuteriomethyl)-4-fluoro-5-hydroxyoxan-3-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;N-[9-[(3R,4S,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;6-iodopurin-9-id-2-amine;tetrabutylazanium;tritiooxymethane
CID 160377193

Frequently Asked Questions

What is the IUPAC name of sodium;9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine;N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-yl]benzamide;[(2R,4aR,7S,8R)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate;N-[9-[(3R,4S,6R)-5-[2-cyanoethoxy-(dipropylamino)phosphanyl]oxy-6-ethyl-4-fluorooxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-6-ethyl-4-fluoro-5-hydroxyoxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]purin-6-yl]benzamide;hydride;7H-purin-6-amine?
The IUPAC name of sodium;9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine;N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-yl]benzamide;[(2R,4aR,7S,8R)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate;N-[9-[(3R,4S,6R)-5-[2-cyanoethoxy-(dipropylamino)phosphanyl]oxy-6-ethyl-4-fluorooxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-6-ethyl-4-fluoro-5-hydroxyoxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]purin-6-yl]benzamide;hydride;7H-purin-6-amine (CID 157463292) is sodium;9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine;N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-yl]benzamide;[(2R,4aR,7S,8R)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate;N-[9-[(3R,4S,6R)-5-[2-cyanoethoxy-(dipropylamino)phosphanyl]oxy-6-ethyl-4-fluorooxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-6-ethyl-4-fluoro-5-hydroxyoxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]purin-6-yl]benzamide;hydride;7H-purin-6-amine.
What is the SMILES notation for sodium;9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine;N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-yl]benzamide;[(2R,4aR,7S,8R)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate;N-[9-[(3R,4S,6R)-5-[2-cyanoethoxy-(dipropylamino)phosphanyl]oxy-6-ethyl-4-fluorooxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-6-ethyl-4-fluoro-5-hydroxyoxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]purin-6-yl]benzamide;hydride;7H-purin-6-amine?
The canonical SMILES for sodium;9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine;N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-yl]benzamide;[(2R,4aR,7S,8R)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate;N-[9-[(3R,4S,6R)-5-[2-cyanoethoxy-(dipropylamino)phosphanyl]oxy-6-ethyl-4-fluorooxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-6-ethyl-4-fluoro-5-hydroxyoxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]purin-6-yl]benzamide;hydride;7H-purin-6-amine is CCCN(CCC)P(OCCC#N)OC1[C@@H](F)[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)CO[C@@H]1CC.CC[C@H]1OC[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](F)C1O.Nc1ncnc2c1ncn2[C@@H]1CO[C@@H]2CO[C@@H](c3ccccc3)OC2[C@H]1F.Nc1ncnc2nc[nH]c12.O=C(Nc1ncnc2c1ncn2[C@@H]1CO[C@@H]2CO[C@@H](c3ccccc3)OC2[C@H]1F)c1ccccc1.O=C(Nc1ncnc2c1ncn2[C@@H]1CO[C@H](CO)C(O)[C@H]1F)c1ccccc1.O=S(=O)(O[C@H]1CO[C@@H]2CO[C@@H](c3ccccc3)OC2[C@H]1F)C(F)(F)F.[H-].[Na+].
What is the InChIKey of sodium;9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine;N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-yl]benzamide;[(2R,4aR,7S,8R)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate;N-[9-[(3R,4S,6R)-5-[2-cyanoethoxy-(dipropylamino)phosphanyl]oxy-6-ethyl-4-fluorooxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-6-ethyl-4-fluoro-5-hydroxyoxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]purin-6-yl]benzamide;hydride;7H-purin-6-amine?
The InChIKey is LULGGLJPRNJAIJ-MKZNRANSSA-N. The full InChI is InChI=1S/C28H37FN7O4P.C25H22FN5O4.C19H20FN5O3.C18H18FN5O4.C18H18FN5O3.C14H14F4O6S.C5H5N5.Na.H/c1-4-14-35(15-5-2)41(39-16-10-13-30)40-25-22(6-3)38-17-21(23(25)29)36-19-33-24-26(31-18-32-27(24)36)34-28(37)20-11-8-7-9-12-20;26-19-17(11-33-18-12-34-25(35-21(18)19)16-9-5-2-6-10-16)31-14-29-20-22(27-13-28-23(20)31)30-24(32)15-7-3-1-4-8-15;1-2-13-16(26)14(20)12(8-28-13)25-10-23-15-17(21-9-22-18(15)25)24-19(27)11-6-4-3-5-7-11;19-13-11(7-28-12(6-25)15(13)26)24-9-22-14-16(20-8-21-17(14)24)23-18(27)10-4-2-1-3-5-10;19-13-11(24-9-23-14-16(20)21-8-22-17(14)24)6-25-12-7-26-18(27-15(12)13)10-4-2-1-3-5-10;15-11-9(24-25(19,20)14(16,17)18)6-21-10-7-22-13(23-12(10)11)8-4-2-1-3-5-8;6-4-3-5(9-1-7-3)10-2-8-4;;/h7-9,11-12,18-19,21-23,25H,4-6,10,14-17H2,1-3H3,(H,31,32,34,37);1-10,13-14,17-19,21,25H,11-12H2,(H,27,28,30,32);3-7,9-10,12-14,16,26H,2,8H2,1H3,(H,21,22,24,27);1-5,8-9,11-13,15,25-26H,6-7H2,(H,20,21,23,27);1-5,8-9,11-13,15,18H,6-7H2,(H2,20,21,22);1-5,9-13H,6-7H2;1-2H,(H3,6,7,8,9,10);;/q;;;;;;;+1;-1/t21-,22-,23+,25?,41?;17-,18-,19+,21?,25-;12-,13-,14+,16?;11-,12-,13+,15?;11-,12-,13+,15?,18-;9-,10+,11-,12?,13+;;;/m111110.../s1.
What are the key properties of sodium;9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine;N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-yl]benzamide;[(2R,4aR,7S,8R)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate;N-[9-[(3R,4S,6R)-5-[2-cyanoethoxy-(dipropylamino)phosphanyl]oxy-6-ethyl-4-fluorooxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-6-ethyl-4-fluoro-5-hydroxyoxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]purin-6-yl]benzamide;hydride;7H-purin-6-amine?
sodium;9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine;N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-yl]benzamide;[(2R,4aR,7S,8R)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate;N-[9-[(3R,4S,6R)-5-[2-cyanoethoxy-(dipropylamino)phosphanyl]oxy-6-ethyl-4-fluorooxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-6-ethyl-4-fluoro-5-hydroxyoxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]purin-6-yl]benzamide;hydride;7H-purin-6-amine has a molecular weight of 2750.69 g/mol, XLogP of 12.66, 31 rotatable bonds, 10 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine;N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-yl]benzamide;[(2R,4aR,7S,8R)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate;N-[9-[(3R,4S,6R)-5-[2-cyanoethoxy-(dipropylamino)phosphanyl]oxy-6-ethyl-4-fluorooxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-6-ethyl-4-fluoro-5-hydroxyoxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]purin-6-yl]benzamide;hydride;7H-purin-6-amine is sourced from PubChem (CID 157463292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).