(3R)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;(3S)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;2-amino-9-[2-[[(5-methylfuran-2-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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

C116H146N32O30P6 — CID 159426939

About (3R)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;(3S)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;2-amino-9-[2-[[(5-methylfuran-2-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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

(3R)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;(3S)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;2-amino-9-[2-[[(5-methylfuran-2-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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 159426939) has the molecular formula C116H146N32O30P6 and a molecular weight of 2654.48 g/mol. Its IUPAC name is (3R)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;(3S)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;2-amino-9-[2-[[(5-methylfuran-2-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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: (3R)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;(3S)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;2-amino-9-[2-[[(5-methylfuran-2-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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: 159426939
• Molecular Formula: C116H146N32O30P6
• Molecular Weight: 2654.48 g/mol
• Exact Mass: 2652.93
• IUPAC Name: (3R)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;(3S)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;2-amino-9-[2-[[(5-methylfuran-2-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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: COc1nc(N)nc2c1ncn2CCOCP(=O)(N[C@@H](C)C(C)=O)OCc1ccccc1.COc1nc(N)nc2c1ncn2CCOCP(=O)(N[C@H](C)C(C)=O)OCc1ccccc1.COc1nc(N)nc2c1ncn2CCOCP(=O)(OCc1ccccc1)OCc1ccc(C)o1.COc1nc(N)nc2c1ncn2CCOCP(C)(=O)OCc1ccccc1.CP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccccc1.Cc1ccc(COP(=O)(COCCn2cnc3c(=O)[nH]c(N)nc32)OCc2ccccc2)o1
• InChI: InChI=1S/C22H26N5O6P.C21H24N5O6P.2C20H27N6O5P.C17H22N5O4P.C16H20N5O4P/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;1-15-7-8-17(32-15)12-31-33(28,30-11-16-5-3-2-4-6-16)14-29-10-9-26-13-23-18-19(26)24-21(22)25-20(18)27;2*1-14(15(2)27)25-32(28,31-11-16-7-5-4-6-8-16)13-30-10-9-26-12-22-17-18(26)23-20(21)24-19(17)29-3;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/h3-9,14H,10-13,15H2,1-2H3,(H2,23,25,26);2-8,13H,9-12,14H2,1H3,(H3,22,24,25,27);2*4-8,12,14H,9-11,13H2,1-3H3,(H,25,28)(H2,21,23,24);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;;2*14-,32?;;/m..10../s1
• InChIKey: LQMDQNRBBYZSQH-YDGSXIBLSA-N
• XLogP: 16.18
• TPSA: 810.70 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 58
• Rotatable Bonds: 64
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2654.48
LogP ≤ 5	16.18
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	58

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 (3R)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;(3S)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;2-amino-9-[2-[[(5-methylfuran-2-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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 (3R)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;(3S)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;2-amino-9-[2-[[(5-methylfuran-2-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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 159426939) is (3R)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;(3S)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;2-amino-9-[2-[[(5-methylfuran-2-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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 (3R)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;(3S)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;2-amino-9-[2-[[(5-methylfuran-2-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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 (3R)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;(3S)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;2-amino-9-[2-[[(5-methylfuran-2-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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 COc1nc(N)nc2c1ncn2CCOCP(=O)(N[C@@H](C)C(C)=O)OCc1ccccc1.COc1nc(N)nc2c1ncn2CCOCP(=O)(N[C@H](C)C(C)=O)OCc1ccccc1.COc1nc(N)nc2c1ncn2CCOCP(=O)(OCc1ccccc1)OCc1ccc(C)o1.COc1nc(N)nc2c1ncn2CCOCP(C)(=O)OCc1ccccc1.CP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccccc1.Cc1ccc(COP(=O)(COCCn2cnc3c(=O)[nH]c(N)nc32)OCc2ccccc2)o1.

What is the InChIKey of (3R)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;(3S)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;2-amino-9-[2-[[(5-methylfuran-2-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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 LQMDQNRBBYZSQH-YDGSXIBLSA-N. The full InChI is InChI=1S/C22H26N5O6P.C21H24N5O6P.2C20H27N6O5P.C17H22N5O4P.C16H20N5O4P/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;1-15-7-8-17(32-15)12-31-33(28,30-11-16-5-3-2-4-6-16)14-29-10-9-26-13-23-18-19(26)24-21(22)25-20(18)27;2*1-14(15(2)27)25-32(28,31-11-16-7-5-4-6-8-16)13-30-10-9-26-12-22-17-18(26)23-20(21)24-19(17)29-3;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/h3-9,14H,10-13,15H2,1-2H3,(H2,23,25,26);2-8,13H,9-12,14H2,1H3,(H3,22,24,25,27);2*4-8,12,14H,9-11,13H2,1-3H3,(H,25,28)(H2,21,23,24);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;;2*14-,32?;;/m..10../s1.

What are the key properties of (3R)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;(3S)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;2-amino-9-[2-[[(5-methylfuran-2-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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?

(3R)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;(3S)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;2-amino-9-[2-[[(5-methylfuran-2-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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 2654.48 g/mol, XLogP of 16.18, 64 rotatable bonds, 10 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;(3S)-3-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]butan-2-one;2-amino-9-[2-[[(5-methylfuran-2-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;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 159426939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).