2-(2-amino-6-chloropurin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethylphosphonic acid;butyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[[(2S)-1-butoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;butyl (2S)-2-aminopropanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-aminopropanoate;dihydrochloride

C113H169Cl3N36O37P6 — CID 157160865

IUPAC2-(2-amino-6-chloropurin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethylphosphonic acid;butyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[[(2S)-1-butoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;butyl (2S)-2-aminopropanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-aminopropanoate;dihydrochloride
SMILESCC(C)OC(=O)[C@H](C)N.CC(C)OC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)Oc1ccccc1.CC(C)OC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(OCc3ccccc3)nc(N)nc21)Oc1ccccc1.CCCCOC(=O)[C@H](C)N.CCCCOC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)N[C@@H](C)C(=O)OCCCC.Cl.Cl.Nc1nc(Cl)c2ncn(CCOCP(=O)(O)O)c2n1.Nc1nc(OCc2ccccc2)c2ncn(CCOCP(=O)(O)O)c2n1.Nc1nc2c(ncn2CCOCP(=O)(O)O)c(=O)[nH]1
InChIInChI=1S/C27H33N6O6P.C22H38N7O7P.C20H27N6O6P.C15H18N5O5P.C8H11ClN5O4P.C8H12N5O5P.C7H15NO2.C6H13NO2.2ClH/c1-19(2)38-26(34)20(3)32-40(35,39-22-12-8-5-9-13-22)18-36-15-14-33-17-29-23-24(33)30-27(28)31-25(23)37-16-21-10-6-4-7-11-21;1-5-7-10-35-20(31)15(3)27-37(33,28-16(4)21(32)36-11-8-6-2)14-34-12-9-29-13-24-17-18(29)25-22(23)26-19(17)30;1-13(2)31-19(28)14(3)25-33(29,32-15-7-5-4-6-8-15)12-30-10-9-26-11-22-16-17(26)23-20(21)24-18(16)27;16-15-18-13-12(14(19-15)25-8-11-4-2-1-3-5-11)17-9-20(13)6-7-24-10-26(21,22)23;9-6-5-7(13-8(10)12-6)14(3-11-5)1-2-18-4-19(15,16)17;9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-18-4-19(15,16)17;1-3-4-5-10-7(9)6(2)8;1-4(2)9-6(8)5(3)7;;/h4-13,17,19-20H,14-16,18H2,1-3H3,(H,32,35)(H2,28,30,31);13,15-16H,5-12,14H2,1-4H3,(H2,27,28,33)(H3,23,25,26,30);4-8,11,13-14H,9-10,12H2,1-3H3,(H,25,29)(H3,21,23,24,27);1-5,9H,6-8,10H2,(H2,16,18,19)(H2,21,22,23);3H,1-2,4H2,(H2,10,12,13)(H2,15,16,17);3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14);6H,3-5,8H2,1-2H3;4-5H,7H2,1-3H3;2*1H/t20-,40?;15-,16-;14-,33?;;;;6-;5-;;/m000...00../s1
InChIKeyFSDOHGTYWUYXMT-QMVJLYBNSA-N
MW2916.01 g/mol
LogP9.57
Rot. Bonds66

About 2-(2-amino-6-chloropurin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethylphosphonic acid;butyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[[(2S)-1-butoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;butyl (2S)-2-aminopropanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-aminopropanoate;dihydrochloride

2-(2-amino-6-chloropurin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethylphosphonic acid;butyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[[(2S)-1-butoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;butyl (2S)-2-aminopropanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-aminopropanoate;dihydrochloride (PubChem CID 157160865) has the molecular formula C113H169Cl3N36O37P6 and a molecular weight of 2916.01 g/mol. Its IUPAC name is 2-(2-amino-6-chloropurin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethylphosphonic acid;butyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[[(2S)-1-butoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;butyl (2S)-2-aminopropanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-aminopropanoate;dihydrochloride.

Molecular Properties

Compound Name2-(2-amino-6-chloropurin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethylphosphonic acid;butyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[[(2S)-1-butoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;butyl (2S)-2-aminopropanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-aminopropanoate;dihydrochloride
PubChem CID157160865
Molecular FormulaC113H169Cl3N36O37P6
Molecular Weight2916.01 g/mol
Exact Mass2912.99
IUPAC Name2-(2-amino-6-chloropurin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethylphosphonic acid;butyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[[(2S)-1-butoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;butyl (2S)-2-aminopropanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-aminopropanoate;dihydrochloride
SMILESCC(C)OC(=O)[C@H](C)N.CC(C)OC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)Oc1ccccc1.CC(C)OC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(OCc3ccccc3)nc(N)nc21)Oc1ccccc1.CCCCOC(=O)[C@H](C)N.CCCCOC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)N[C@@H](C)C(=O)OCCCC.Cl.Cl.Nc1nc(Cl)c2ncn(CCOCP(=O)(O)O)c2n1.Nc1nc(OCc2ccccc2)c2ncn(CCOCP(=O)(O)O)c2n1.Nc1nc2c(ncn2CCOCP(=O)(O)O)c(=O)[nH]1
InChIInChI=1S/C27H33N6O6P.C22H38N7O7P.C20H27N6O6P.C15H18N5O5P.C8H11ClN5O4P.C8H12N5O5P.C7H15NO2.C6H13NO2.2ClH/c1-19(2)38-26(34)20(3)32-40(35,39-22-12-8-5-9-13-22)18-36-15-14-33-17-29-23-24(33)30-27(28)31-25(23)37-16-21-10-6-4-7-11-21;1-5-7-10-35-20(31)15(3)27-37(33,28-16(4)21(32)36-11-8-6-2)14-34-12-9-29-13-24-17-18(29)25-22(23)26-19(17)30;1-13(2)31-19(28)14(3)25-33(29,32-15-7-5-4-6-8-15)12-30-10-9-26-11-22-16-17(26)23-20(21)24-18(16)27;16-15-18-13-12(14(19-15)25-8-11-4-2-1-3-5-11)17-9-20(13)6-7-24-10-26(21,22)23;9-6-5-7(13-8(10)12-6)14(3-11-5)1-2-18-4-19(15,16)17;9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-18-4-19(15,16)17;1-3-4-5-10-7(9)6(2)8;1-4(2)9-6(8)5(3)7;;/h4-13,17,19-20H,14-16,18H2,1-3H3,(H,32,35)(H2,28,30,31);13,15-16H,5-12,14H2,1-4H3,(H2,27,28,33)(H3,23,25,26,30);4-8,11,13-14H,9-10,12H2,1-3H3,(H,25,29)(H3,21,23,24,27);1-5,9H,6-8,10H2,(H2,16,18,19)(H2,21,22,23);3H,1-2,4H2,(H2,10,12,13)(H2,15,16,17);3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14);6H,3-5,8H2,1-2H3;4-5H,7H2,1-3H3;2*1H/t20-,40?;15-,16-;14-,33?;;;;6-;5-;;/m000...00../s1
InChIKeyFSDOHGTYWUYXMT-QMVJLYBNSA-N
XLogP9.57
TPSA1051.69 Ų
H-Bond Donors21
H-Bond Acceptors60
Rotatable Bonds66
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002916.01
LogP ≤ 59.57
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-(2-amino-6-chloropurin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethylphosphonic acid;butyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[[(2S)-1-butoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;butyl (2S)-2-aminopropanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-aminopropanoate;dihydrochloride with MolForge

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Launch Full Analysis

Related Compounds

CID 157121977
CID 157121977
propan-2-yl (2R)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 157262531
propan-2-yl (2R)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;bis(propan-2-yl (2R)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate)
CID 157262532
bis(propan-2-yl (2R)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate);bis(propan-2-yl (2R)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate)
CID 157262533
2-amino-9-[2-[[2-oxopropoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;ethyl (2R)-2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]propanoate;ethyl (2S)-2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]propanoate;6-methoxy-9-[2-[[(5-methylfuran-2-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]purin-2-amine;6-methoxy-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine
CID 157346427
cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;bis(propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate);propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 157356154
CID 157584749
CID 157584749
sodium;[(2S,3R,4R,5R)-3-amino-4-ethoxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl 2-methylpropanoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-[2-(2-methylpropanoylamino)-6-phenylmethoxypurin-9-yl]oxolan-2-yl]methyl 2-methylpropanoate;1-[chloro(diphenyl)methyl]-4-methoxybenzene;N-[9-[(2R,3R,4R,5S)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-3-ethoxy-4-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;N-[9-[(2R,3R,4R,5S)-3-ethoxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;[(2S,3R,4R,5R)-4-ethoxy-3-methyl-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl 2-methylpropanoate;hydroxyazanide
CID 158064228
propan-2-yl (2R)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-chloro-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-chloro-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-chloro-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-chloro-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-chloro-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 158064335
cyclohexyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(3-chloro-4-fluorophenoxy)phosphoryl]amino]propanoate;cyclohexyl 2-[[(3-chloro-4-fluorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(2-chlorophenoxy)phosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[(2-chlorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate
CID 158270333
[(2R,3R,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-methyl-oxophosphanium;(2R,3R,4R,5R)-4-chloro-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2-(hydroxymethyl)-4-methyloxolan-3-ol;[(2R,3R,4R,5R)-4-chloro-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-3-hydroxy-4-methyloxolan-2-yl]methoxy-methyl-oxophosphanium;bis(cyclohexyl (2S)-2-aminopropanoate)
CID 158282176
propan-2-yl (2R)-2-[[[(2S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,4R,5R)-4-fluoro-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,4R,5R)-4-fluoro-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 158318149

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chloropurin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethylphosphonic acid;butyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[[(2S)-1-butoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;butyl (2S)-2-aminopropanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-aminopropanoate;dihydrochloride?
The IUPAC name of 2-(2-amino-6-chloropurin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethylphosphonic acid;butyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[[(2S)-1-butoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;butyl (2S)-2-aminopropanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-aminopropanoate;dihydrochloride (CID 157160865) is 2-(2-amino-6-chloropurin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethylphosphonic acid;butyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[[(2S)-1-butoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;butyl (2S)-2-aminopropanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-aminopropanoate;dihydrochloride.
What is the SMILES notation for 2-(2-amino-6-chloropurin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethylphosphonic acid;butyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[[(2S)-1-butoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;butyl (2S)-2-aminopropanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-aminopropanoate;dihydrochloride?
The canonical SMILES for 2-(2-amino-6-chloropurin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethylphosphonic acid;butyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[[(2S)-1-butoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;butyl (2S)-2-aminopropanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-aminopropanoate;dihydrochloride is CC(C)OC(=O)[C@H](C)N.CC(C)OC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)Oc1ccccc1.CC(C)OC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(OCc3ccccc3)nc(N)nc21)Oc1ccccc1.CCCCOC(=O)[C@H](C)N.CCCCOC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)N[C@@H](C)C(=O)OCCCC.Cl.Cl.Nc1nc(Cl)c2ncn(CCOCP(=O)(O)O)c2n1.Nc1nc(OCc2ccccc2)c2ncn(CCOCP(=O)(O)O)c2n1.Nc1nc2c(ncn2CCOCP(=O)(O)O)c(=O)[nH]1.
What is the InChIKey of 2-(2-amino-6-chloropurin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethylphosphonic acid;butyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[[(2S)-1-butoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;butyl (2S)-2-aminopropanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-aminopropanoate;dihydrochloride?
The InChIKey is FSDOHGTYWUYXMT-QMVJLYBNSA-N. The full InChI is InChI=1S/C27H33N6O6P.C22H38N7O7P.C20H27N6O6P.C15H18N5O5P.C8H11ClN5O4P.C8H12N5O5P.C7H15NO2.C6H13NO2.2ClH/c1-19(2)38-26(34)20(3)32-40(35,39-22-12-8-5-9-13-22)18-36-15-14-33-17-29-23-24(33)30-27(28)31-25(23)37-16-21-10-6-4-7-11-21;1-5-7-10-35-20(31)15(3)27-37(33,28-16(4)21(32)36-11-8-6-2)14-34-12-9-29-13-24-17-18(29)25-22(23)26-19(17)30;1-13(2)31-19(28)14(3)25-33(29,32-15-7-5-4-6-8-15)12-30-10-9-26-11-22-16-17(26)23-20(21)24-18(16)27;16-15-18-13-12(14(19-15)25-8-11-4-2-1-3-5-11)17-9-20(13)6-7-24-10-26(21,22)23;9-6-5-7(13-8(10)12-6)14(3-11-5)1-2-18-4-19(15,16)17;9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-18-4-19(15,16)17;1-3-4-5-10-7(9)6(2)8;1-4(2)9-6(8)5(3)7;;/h4-13,17,19-20H,14-16,18H2,1-3H3,(H,32,35)(H2,28,30,31);13,15-16H,5-12,14H2,1-4H3,(H2,27,28,33)(H3,23,25,26,30);4-8,11,13-14H,9-10,12H2,1-3H3,(H,25,29)(H3,21,23,24,27);1-5,9H,6-8,10H2,(H2,16,18,19)(H2,21,22,23);3H,1-2,4H2,(H2,10,12,13)(H2,15,16,17);3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14);6H,3-5,8H2,1-2H3;4-5H,7H2,1-3H3;2*1H/t20-,40?;15-,16-;14-,33?;;;;6-;5-;;/m000...00../s1.
What are the key properties of 2-(2-amino-6-chloropurin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethylphosphonic acid;butyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[[(2S)-1-butoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;butyl (2S)-2-aminopropanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-aminopropanoate;dihydrochloride?
2-(2-amino-6-chloropurin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethylphosphonic acid;butyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[[(2S)-1-butoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;butyl (2S)-2-aminopropanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-aminopropanoate;dihydrochloride has a molecular weight of 2916.01 g/mol, XLogP of 9.57, 66 rotatable bonds, 21 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chloropurin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid;2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethylphosphonic acid;butyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[[(2S)-1-butoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;butyl (2S)-2-aminopropanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-aminopropanoate;dihydrochloride is sourced from PubChem (CID 157160865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).