2-amino-9-[2-[[ethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]ethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-methylphosphinic acid;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

C145H238N30O36P6 — CID 158002470

About 2-amino-9-[2-[[ethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]ethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-methylphosphinic acid;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-amino-9-[2-[[ethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]ethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-methylphosphinic acid;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 (PubChem CID 158002470) has the molecular formula C145H238N30O36P6 and a molecular weight of 3163.52 g/mol. Its IUPAC name is 2-amino-9-[2-[[ethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]ethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-methylphosphinic acid;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.

Molecular Properties

• Compound Name: 2-amino-9-[2-[[ethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]ethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-methylphosphinic acid;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
• PubChem CID: 158002470
• Molecular Formula: C145H238N30O36P6
• Molecular Weight: 3163.52 g/mol
• Exact Mass: 3161.61
• IUPAC Name: 2-amino-9-[2-[[ethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]ethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-methylphosphinic acid;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
• SMILES: CC(C)(C)C(=O)OCCP(=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.CCOP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)Oc1ccccc1.CP(=O)(O)COCCn1cnc2c(=O)[nH]c(N)nc21
• InChI: InChI=1S/C36H60N5O7P.C35H58N5O6P.C28H52N5O6P.C21H34N5O8P.C16H20N5O5P.C9H14N5O4P/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;1-20(2,3)17(28)32-9-10-35(30,34-12-33-18(29)21(4,5)6)13-31-8-7-26-11-23-14-15(26)24-19(22)25-16(14)27;1-2-25-27(23,26-12-6-4-3-5-7-12)11-24-9-8-21-10-18-13-14(21)19-16(17)20-15(13)22;1-19(16,17)5-18-3-2-14-4-11-6-7(14)12-9(10)13-8(6)15/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);11H,7-10,12-13H2,1-6H3,(H3,22,24,25,27);3-7,10H,2,8-9,11H2,1H3,(H3,17,19,20,22);4H,2-3,5H2,1H3,(H,16,17)(H3,10,12,13,15)
• InChIKey: FDWYSUMEAGDLBN-UHFFFAOYSA-N
• XLogP: 25.95
• TPSA: 910.16 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 57
• Rotatable Bonds: 110
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3163.52
LogP ≤ 5	25.95
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	57

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-[[ethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]ethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-methylphosphinic acid;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?

The IUPAC name of 2-amino-9-[2-[[ethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]ethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-methylphosphinic acid;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 (CID 158002470) is 2-amino-9-[2-[[ethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]ethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-methylphosphinic acid;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.

What is the SMILES notation for 2-amino-9-[2-[[ethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]ethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-methylphosphinic acid;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?

The canonical SMILES for 2-amino-9-[2-[[ethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]ethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-methylphosphinic acid;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 is CC(C)(C)C(=O)OCCP(=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.CCOP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)Oc1ccccc1.CP(=O)(O)COCCn1cnc2c(=O)[nH]c(N)nc21.

What is the InChIKey of 2-amino-9-[2-[[ethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]ethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-methylphosphinic acid;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?

The InChIKey is FDWYSUMEAGDLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H60N5O7P.C35H58N5O6P.C28H52N5O6P.C21H34N5O8P.C16H20N5O5P.C9H14N5O4P/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;1-20(2,3)17(28)32-9-10-35(30,34-12-33-18(29)21(4,5)6)13-31-8-7-26-11-23-14-15(26)24-19(22)25-16(14)27;1-2-25-27(23,26-12-6-4-3-5-7-12)11-24-9-8-21-10-18-13-14(21)19-16(17)20-15(13)22;1-19(16,17)5-18-3-2-14-4-11-6-7(14)12-9(10)13-8(6)15/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);11H,7-10,12-13H2,1-6H3,(H3,22,24,25,27);3-7,10H,2,8-9,11H2,1H3,(H3,17,19,20,22);4H,2-3,5H2,1H3,(H,16,17)(H3,10,12,13,15).

What are the key properties of 2-amino-9-[2-[[ethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]ethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-methylphosphinic acid;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-amino-9-[2-[[ethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]ethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-methylphosphinic acid;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 has a molecular weight of 3163.52 g/mol, XLogP of 25.95, 110 rotatable bonds, 15 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-[2-[[ethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]ethyl 2,2-dimethylpropanoate;2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-methylphosphinic acid;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 is sourced from PubChem (CID 158002470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).