2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[2-[2-oxopropoxy(phenylmethoxy)phosphoryl]ethoxy]ethyl]-1H-purin-6-one;ethyl 2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]-2-methylpropanoate;ethyl (2R)-2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]propanoate;6-methoxy-9-[2-[[(5-methylfuran-2-yl)oxy-phenylmethoxyphosphoryl]methoxy]ethyl]purin-2-amine;6-methoxy-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine

C116H150N32O32P6 — CID 159792425

About 2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[2-[2-oxopropoxy(phenylmethoxy)phosphoryl]ethoxy]ethyl]-1H-purin-6-one;ethyl 2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]-2-methylpropanoate;ethyl (2R)-2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]propanoate;6-methoxy-9-[2-[[(5-methylfuran-2-yl)oxy-phenylmethoxyphosphoryl]methoxy]ethyl]purin-2-amine;6-methoxy-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine

2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[2-[2-oxopropoxy(phenylmethoxy)phosphoryl]ethoxy]ethyl]-1H-purin-6-one;ethyl 2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]-2-methylpropanoate;ethyl (2R)-2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]propanoate;6-methoxy-9-[2-[[(5-methylfuran-2-yl)oxy-phenylmethoxyphosphoryl]methoxy]ethyl]purin-2-amine;6-methoxy-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine (PubChem CID 159792425) has the molecular formula C116H150N32O32P6 and a molecular weight of 2690.51 g/mol. Its IUPAC name is 2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[2-[2-oxopropoxy(phenylmethoxy)phosphoryl]ethoxy]ethyl]-1H-purin-6-one;ethyl 2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]-2-methylpropanoate;ethyl (2R)-2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]propanoate;6-methoxy-9-[2-[[(5-methylfuran-2-yl)oxy-phenylmethoxyphosphoryl]methoxy]ethyl]purin-2-amine;6-methoxy-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine.

Molecular Properties

• Compound Name: 2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[2-[2-oxopropoxy(phenylmethoxy)phosphoryl]ethoxy]ethyl]-1H-purin-6-one;ethyl 2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]-2-methylpropanoate;ethyl (2R)-2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]propanoate;6-methoxy-9-[2-[[(5-methylfuran-2-yl)oxy-phenylmethoxyphosphoryl]methoxy]ethyl]purin-2-amine;6-methoxy-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine
• PubChem CID: 159792425
• Molecular Formula: C116H150N32O32P6
• Molecular Weight: 2690.51 g/mol
• Exact Mass: 2688.95
• IUPAC Name: 2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[2-[2-oxopropoxy(phenylmethoxy)phosphoryl]ethoxy]ethyl]-1H-purin-6-one;ethyl 2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]-2-methylpropanoate;ethyl (2R)-2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]propanoate;6-methoxy-9-[2-[[(5-methylfuran-2-yl)oxy-phenylmethoxyphosphoryl]methoxy]ethyl]purin-2-amine;6-methoxy-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine
• SMILES: CC(=O)COP(=O)(CCOCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccccc1.CCOC(=O)C(C)(C)NP(=O)(COCCn1cnc2c(OC)nc(N)nc21)OCc1ccccc1.CCOC(=O)[C@@H](C)NP(=O)(COCCn1cnc2c(OC)nc(N)nc21)OCc1ccccc1.COc1nc(N)nc2c1ncn2CCOCP(=O)(OCc1ccccc1)Oc1ccc(C)o1.COc1nc(N)nc2c1ncn2CCOCP(C)(=O)OCc1ccccc1.CP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccccc1
• InChI: InChI=1S/C22H31N6O6P.C21H29N6O6P.C21H24N5O6P.C19H24N5O6P.C17H22N5O4P.C16H20N5O4P/c1-5-33-20(29)22(2,3)27-35(30,34-13-16-9-7-6-8-10-16)15-32-12-11-28-14-24-17-18(28)25-21(23)26-19(17)31-4;1-4-32-20(28)15(2)26-34(29,33-12-16-8-6-5-7-9-16)14-31-11-10-27-13-23-17-18(27)24-21(22)25-19(17)30-3;1-15-8-9-17(31-15)32-33(27,30-12-16-6-4-3-5-7-16)14-29-11-10-26-13-23-18-19(26)24-21(22)25-20(18)28-2;1-14(25)11-29-31(27,30-12-15-5-3-2-4-6-15)10-9-28-8-7-24-13-21-16-17(24)22-19(20)23-18(16)26;1-24-16-14-15(20-17(18)21-16)22(11-19-14)8-9-25-12-27(2,23)26-10-13-6-4-3-5-7-13;1-26(23,25-9-12-5-3-2-4-6-12)11-24-8-7-21-10-18-13-14(21)19-16(17)20-15(13)22/h6-10,14H,5,11-13,15H2,1-4H3,(H,27,30)(H2,23,25,26);5-9,13,15H,4,10-12,14H2,1-3H3,(H,26,29)(H2,22,24,25);3-9,13H,10-12,14H2,1-2H3,(H2,22,24,25);2-6,13H,7-12H2,1H3,(H3,20,22,23,26);3-7,11H,8-10,12H2,1-2H3,(H2,18,20,21);2-6,10H,7-9,11H2,1H3,(H3,17,19,20,22)/t;15-,34?;;;;/m.1..../s1
• InChIKey: NISPPXMSZLZEPA-KKEPAEEVSA-N
• XLogP: 14.91
• TPSA: 833.09 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 60
• Rotatable Bonds: 66
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2690.51
LogP ≤ 5	14.91
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	60

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[2-[2-oxopropoxy(phenylmethoxy)phosphoryl]ethoxy]ethyl]-1H-purin-6-one;ethyl 2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]-2-methylpropanoate;ethyl (2R)-2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]propanoate;6-methoxy-9-[2-[[(5-methylfuran-2-yl)oxy-phenylmethoxyphosphoryl]methoxy]ethyl]purin-2-amine;6-methoxy-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine?

The IUPAC name of 2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[2-[2-oxopropoxy(phenylmethoxy)phosphoryl]ethoxy]ethyl]-1H-purin-6-one;ethyl 2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]-2-methylpropanoate;ethyl (2R)-2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]propanoate;6-methoxy-9-[2-[[(5-methylfuran-2-yl)oxy-phenylmethoxyphosphoryl]methoxy]ethyl]purin-2-amine;6-methoxy-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine (CID 159792425) is 2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[2-[2-oxopropoxy(phenylmethoxy)phosphoryl]ethoxy]ethyl]-1H-purin-6-one;ethyl 2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]-2-methylpropanoate;ethyl (2R)-2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]propanoate;6-methoxy-9-[2-[[(5-methylfuran-2-yl)oxy-phenylmethoxyphosphoryl]methoxy]ethyl]purin-2-amine;6-methoxy-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine.

What is the SMILES notation for 2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[2-[2-oxopropoxy(phenylmethoxy)phosphoryl]ethoxy]ethyl]-1H-purin-6-one;ethyl 2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]-2-methylpropanoate;ethyl (2R)-2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]propanoate;6-methoxy-9-[2-[[(5-methylfuran-2-yl)oxy-phenylmethoxyphosphoryl]methoxy]ethyl]purin-2-amine;6-methoxy-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine?

The canonical SMILES for 2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[2-[2-oxopropoxy(phenylmethoxy)phosphoryl]ethoxy]ethyl]-1H-purin-6-one;ethyl 2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]-2-methylpropanoate;ethyl (2R)-2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]propanoate;6-methoxy-9-[2-[[(5-methylfuran-2-yl)oxy-phenylmethoxyphosphoryl]methoxy]ethyl]purin-2-amine;6-methoxy-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine is CC(=O)COP(=O)(CCOCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccccc1.CCOC(=O)C(C)(C)NP(=O)(COCCn1cnc2c(OC)nc(N)nc21)OCc1ccccc1.CCOC(=O)[C@@H](C)NP(=O)(COCCn1cnc2c(OC)nc(N)nc21)OCc1ccccc1.COc1nc(N)nc2c1ncn2CCOCP(=O)(OCc1ccccc1)Oc1ccc(C)o1.COc1nc(N)nc2c1ncn2CCOCP(C)(=O)OCc1ccccc1.CP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccccc1.

What is the InChIKey of 2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[2-[2-oxopropoxy(phenylmethoxy)phosphoryl]ethoxy]ethyl]-1H-purin-6-one;ethyl 2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]-2-methylpropanoate;ethyl (2R)-2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]propanoate;6-methoxy-9-[2-[[(5-methylfuran-2-yl)oxy-phenylmethoxyphosphoryl]methoxy]ethyl]purin-2-amine;6-methoxy-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine?

The InChIKey is NISPPXMSZLZEPA-KKEPAEEVSA-N. The full InChI is InChI=1S/C22H31N6O6P.C21H29N6O6P.C21H24N5O6P.C19H24N5O6P.C17H22N5O4P.C16H20N5O4P/c1-5-33-20(29)22(2,3)27-35(30,34-13-16-9-7-6-8-10-16)15-32-12-11-28-14-24-17-18(28)25-21(23)26-19(17)31-4;1-4-32-20(28)15(2)26-34(29,33-12-16-8-6-5-7-9-16)14-31-11-10-27-13-23-17-18(27)24-21(22)25-19(17)30-3;1-15-8-9-17(31-15)32-33(27,30-12-16-6-4-3-5-7-16)14-29-11-10-26-13-23-18-19(26)24-21(22)25-20(18)28-2;1-14(25)11-29-31(27,30-12-15-5-3-2-4-6-15)10-9-28-8-7-24-13-21-16-17(24)22-19(20)23-18(16)26;1-24-16-14-15(20-17(18)21-16)22(11-19-14)8-9-25-12-27(2,23)26-10-13-6-4-3-5-7-13;1-26(23,25-9-12-5-3-2-4-6-12)11-24-8-7-21-10-18-13-14(21)19-16(17)20-15(13)22/h6-10,14H,5,11-13,15H2,1-4H3,(H,27,30)(H2,23,25,26);5-9,13,15H,4,10-12,14H2,1-3H3,(H,26,29)(H2,22,24,25);3-9,13H,10-12,14H2,1-2H3,(H2,22,24,25);2-6,13H,7-12H2,1H3,(H3,20,22,23,26);3-7,11H,8-10,12H2,1-2H3,(H2,18,20,21);2-6,10H,7-9,11H2,1H3,(H3,17,19,20,22)/t;15-,34?;;;;/m.1..../s1.

What are the key properties of 2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[2-[2-oxopropoxy(phenylmethoxy)phosphoryl]ethoxy]ethyl]-1H-purin-6-one;ethyl 2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]-2-methylpropanoate;ethyl (2R)-2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]propanoate;6-methoxy-9-[2-[[(5-methylfuran-2-yl)oxy-phenylmethoxyphosphoryl]methoxy]ethyl]purin-2-amine;6-methoxy-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine?

2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[2-[2-oxopropoxy(phenylmethoxy)phosphoryl]ethoxy]ethyl]-1H-purin-6-one;ethyl 2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]-2-methylpropanoate;ethyl (2R)-2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]propanoate;6-methoxy-9-[2-[[(5-methylfuran-2-yl)oxy-phenylmethoxyphosphoryl]methoxy]ethyl]purin-2-amine;6-methoxy-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine has a molecular weight of 2690.51 g/mol, XLogP of 14.91, 66 rotatable bonds, 10 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[2-[2-oxopropoxy(phenylmethoxy)phosphoryl]ethoxy]ethyl]-1H-purin-6-one;ethyl 2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]-2-methylpropanoate;ethyl (2R)-2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]propanoate;6-methoxy-9-[2-[[(5-methylfuran-2-yl)oxy-phenylmethoxyphosphoryl]methoxy]ethyl]purin-2-amine;6-methoxy-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine is sourced from PubChem (CID 159792425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).