2-amino-9-[2-[[2-methoxyethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2-octadecoxyethoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(3-octadecoxy-2-phenylmethoxypropoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid

C144H236N30O39P6 — CID 157416693

About 2-amino-9-[2-[[2-methoxyethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2-octadecoxyethoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(3-octadecoxy-2-phenylmethoxypropoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid

2-amino-9-[2-[[2-methoxyethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2-octadecoxyethoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(3-octadecoxy-2-phenylmethoxypropoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid (PubChem CID 157416693) has the molecular formula C144H236N30O39P6 and a molecular weight of 3197.49 g/mol. Its IUPAC name is 2-amino-9-[2-[[2-methoxyethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2-octadecoxyethoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(3-octadecoxy-2-phenylmethoxypropoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid.

Molecular Properties

• Compound Name: 2-amino-9-[2-[[2-methoxyethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2-octadecoxyethoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(3-octadecoxy-2-phenylmethoxypropoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid
• PubChem CID: 157416693
• Molecular Formula: C144H236N30O39P6
• Molecular Weight: 3197.49 g/mol
• Exact Mass: 3195.58
• IUPAC Name: 2-amino-9-[2-[[2-methoxyethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2-octadecoxyethoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(3-octadecoxy-2-phenylmethoxypropoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid
• SMILES: CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCOC(=O)C(C)(C)C.CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccccc1.CCCCCCCCCCCCCCCCCCOCCOP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccccc1.CCCCCCCCCCCCCCCCCCOCCOP(=O)(O)COCCn1cnc2c(=O)[nH]c(N)nc21.COCCOP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)Oc1ccccc1.Nc1nc2c(ncn2CCOCP(=O)(O)O)c(=O)[nH]1
• InChI: InChI=1S/C36H60N5O7P.C35H58N5O6P.C28H52N5O6P.C20H32N5O9P.C17H22N5O6P.C8H12N5O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-45-27-32(47-26-31-21-18-17-19-22-31)28-48-49(43,44)30-46-25-23-41-29-38-33-34(41)39-36(37)40-35(33)42;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-43-26-27-45-47(42,46-28-31-21-18-17-19-22-31)30-44-25-23-40-29-37-32-33(40)38-35(36)39-34(32)41;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-37-21-22-39-40(35,36)24-38-20-18-33-23-30-25-26(33)31-28(29)32-27(25)34;1-19(2,3)16(27)31-10-33-35(29,34-11-32-17(28)20(4,5)6)12-30-8-7-25-9-22-13-14(25)23-18(21)24-15(13)26;1-25-9-10-27-29(24,28-13-5-3-2-4-6-13)12-26-8-7-22-11-19-14-15(22)20-17(18)21-16(14)23;9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-18-4-19(15,16)17/h17-19,21-22,29,32H,2-16,20,23-28,30H2,1H3,(H,43,44)(H3,37,39,40,42);17-19,21-22,29H,2-16,20,23-28,30H2,1H3,(H3,36,38,39,41);23H,2-22,24H2,1H3,(H,35,36)(H3,29,31,32,34);9H,7-8,10-12H2,1-6H3,(H3,21,23,24,26);2-6,11H,7-10,12H2,1H3,(H3,18,20,21,23);3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14)
• InChIKey: BOXUYJVFTHXBSK-UHFFFAOYSA-N
• XLogP: 24.74
• TPSA: 948.85 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 59
• Rotatable Bonds: 112
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3197.49
LogP ≤ 5	24.74
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	59

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[2-[[2-methoxyethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2-octadecoxyethoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(3-octadecoxy-2-phenylmethoxypropoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid?

The IUPAC name of 2-amino-9-[2-[[2-methoxyethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2-octadecoxyethoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(3-octadecoxy-2-phenylmethoxypropoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid (CID 157416693) is 2-amino-9-[2-[[2-methoxyethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2-octadecoxyethoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(3-octadecoxy-2-phenylmethoxypropoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid.

What is the SMILES notation for 2-amino-9-[2-[[2-methoxyethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2-octadecoxyethoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(3-octadecoxy-2-phenylmethoxypropoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid?

The canonical SMILES for 2-amino-9-[2-[[2-methoxyethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2-octadecoxyethoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(3-octadecoxy-2-phenylmethoxypropoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid is CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCOC(=O)C(C)(C)C.CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccccc1.CCCCCCCCCCCCCCCCCCOCCOP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccccc1.CCCCCCCCCCCCCCCCCCOCCOP(=O)(O)COCCn1cnc2c(=O)[nH]c(N)nc21.COCCOP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)Oc1ccccc1.Nc1nc2c(ncn2CCOCP(=O)(O)O)c(=O)[nH]1.

What is the InChIKey of 2-amino-9-[2-[[2-methoxyethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2-octadecoxyethoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(3-octadecoxy-2-phenylmethoxypropoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid?

The InChIKey is BOXUYJVFTHXBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H60N5O7P.C35H58N5O6P.C28H52N5O6P.C20H32N5O9P.C17H22N5O6P.C8H12N5O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-45-27-32(47-26-31-21-18-17-19-22-31)28-48-49(43,44)30-46-25-23-41-29-38-33-34(41)39-36(37)40-35(33)42;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-43-26-27-45-47(42,46-28-31-21-18-17-19-22-31)30-44-25-23-40-29-37-32-33(40)38-35(36)39-34(32)41;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-37-21-22-39-40(35,36)24-38-20-18-33-23-30-25-26(33)31-28(29)32-27(25)34;1-19(2,3)16(27)31-10-33-35(29,34-11-32-17(28)20(4,5)6)12-30-8-7-25-9-22-13-14(25)23-18(21)24-15(13)26;1-25-9-10-27-29(24,28-13-5-3-2-4-6-13)12-26-8-7-22-11-19-14-15(22)20-17(18)21-16(14)23;9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-18-4-19(15,16)17/h17-19,21-22,29,32H,2-16,20,23-28,30H2,1H3,(H,43,44)(H3,37,39,40,42);17-19,21-22,29H,2-16,20,23-28,30H2,1H3,(H3,36,38,39,41);23H,2-22,24H2,1H3,(H,35,36)(H3,29,31,32,34);9H,7-8,10-12H2,1-6H3,(H3,21,23,24,26);2-6,11H,7-10,12H2,1H3,(H3,18,20,21,23);3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14).

What are the key properties of 2-amino-9-[2-[[2-methoxyethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2-octadecoxyethoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(3-octadecoxy-2-phenylmethoxypropoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid?

2-amino-9-[2-[[2-methoxyethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2-octadecoxyethoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(3-octadecoxy-2-phenylmethoxypropoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid has a molecular weight of 3197.49 g/mol, XLogP of 24.74, 112 rotatable bonds, 16 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-[2-[[2-methoxyethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2-octadecoxyethoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(3-octadecoxy-2-phenylmethoxypropoxy)phosphinic acid;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid is sourced from PubChem (CID 157416693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).