2-amino-9-[2-[[2-oxobutoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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

C118H152N32O34P6 — CID 160782876

About 2-amino-9-[2-[[2-oxobutoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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

2-amino-9-[2-[[2-oxobutoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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 (PubChem CID 160782876) has the molecular formula C118H152N32O34P6 and a molecular weight of 2748.55 g/mol. Its IUPAC name is 2-amino-9-[2-[[2-oxobutoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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.

Molecular Properties

• Compound Name: 2-amino-9-[2-[[2-oxobutoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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
• PubChem CID: 160782876
• Molecular Formula: C118H152N32O34P6
• Molecular Weight: 2748.55 g/mol
• Exact Mass: 2746.96
• IUPAC Name: 2-amino-9-[2-[[2-oxobutoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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
• SMILES: CC(=O)COP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccccc1.CCC(=O)COP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccccc1.CCOC(=O)[C@@H](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)OCc1ccc(C)o1.COc1nc(N)nc2c1ncn2CCOCP(C)(=O)OCc1ccccc1
• InChI: InChI=1S/C22H26N5O6P.2C21H29N6O6P.C19H24N5O6P.C18H22N5O6P.C17H22N5O4P/c1-16-8-9-18(33-16)13-32-34(28,31-12-17-6-4-3-5-7-17)15-30-11-10-27-14-24-19-20(27)25-22(23)26-21(19)29-2;2*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;1-2-15(25)11-30-31(27,29-10-14-6-4-3-5-7-14)13-28-9-8-24-12-21-16-17(24)22-19(20)23-18(16)26;1-13(24)9-28-30(26,29-10-14-5-3-2-4-6-14)12-27-8-7-23-11-20-15-16(23)21-18(19)22-17(15)25;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/h3-9,14H,10-13,15H2,1-2H3,(H2,23,25,26);2*5-9,13,15H,4,10-12,14H2,1-3H3,(H,26,29)(H2,22,24,25);3-7,12H,2,8-11,13H2,1H3,(H3,20,22,23,26);2-6,11H,7-10,12H2,1H3,(H3,19,21,22,25);3-7,11H,8-10,12H2,1-2H3,(H2,18,20,21)/t;2*15-,34?;;;/m.10.../s1
• InChIKey: SAUTUPMELFUAFG-DKTFXDHNSA-N
• XLogP: 14.89
• TPSA: 859.39 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 62
• Rotatable Bonds: 70
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2748.55
LogP ≤ 5	14.89
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	62

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-[[2-oxobutoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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?

The IUPAC name of 2-amino-9-[2-[[2-oxobutoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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 160782876) is 2-amino-9-[2-[[2-oxobutoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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.

What is the SMILES notation for 2-amino-9-[2-[[2-oxobutoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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?

The canonical SMILES for 2-amino-9-[2-[[2-oxobutoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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 is CC(=O)COP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccccc1.CCC(=O)COP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccccc1.CCOC(=O)[C@@H](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)OCc1ccc(C)o1.COc1nc(N)nc2c1ncn2CCOCP(C)(=O)OCc1ccccc1.

What is the InChIKey of 2-amino-9-[2-[[2-oxobutoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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?

The InChIKey is SAUTUPMELFUAFG-DKTFXDHNSA-N. The full InChI is InChI=1S/C22H26N5O6P.2C21H29N6O6P.C19H24N5O6P.C18H22N5O6P.C17H22N5O4P/c1-16-8-9-18(33-16)13-32-34(28,31-12-17-6-4-3-5-7-17)15-30-11-10-27-14-24-19-20(27)25-22(23)26-21(19)29-2;2*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;1-2-15(25)11-30-31(27,29-10-14-6-4-3-5-7-14)13-28-9-8-24-12-21-16-17(24)22-19(20)23-18(16)26;1-13(24)9-28-30(26,29-10-14-5-3-2-4-6-14)12-27-8-7-23-11-20-15-16(23)21-18(19)22-17(15)25;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/h3-9,14H,10-13,15H2,1-2H3,(H2,23,25,26);2*5-9,13,15H,4,10-12,14H2,1-3H3,(H,26,29)(H2,22,24,25);3-7,12H,2,8-11,13H2,1H3,(H3,20,22,23,26);2-6,11H,7-10,12H2,1H3,(H3,19,21,22,25);3-7,11H,8-10,12H2,1-2H3,(H2,18,20,21)/t;2*15-,34?;;;/m.10.../s1.

What are the key properties of 2-amino-9-[2-[[2-oxobutoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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?

2-amino-9-[2-[[2-oxobutoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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 has a molecular weight of 2748.55 g/mol, XLogP of 14.89, 70 rotatable bonds, 10 hydrogen bond donors, and 62 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-[2-[[2-oxobutoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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 is sourced from PubChem (CID 160782876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).