2-amino-N-[1-[[(5S)-2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl]methyl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-N-(1-ethoxy-3-methyl-1-oxobutan-2-yl)phosphonamidic acid;2-[[[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-hydroxyphosphoryl]amino]-3-methylbutanoic acid;methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2λ5-dioxaphosphinan-2-yl]oxy]propanoate

C58H99N17O28P4 — CID 160624013

About 2-amino-N-[1-[[(5S)-2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl]methyl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-N-(1-ethoxy-3-methyl-1-oxobutan-2-yl)phosphonamidic acid;2-[[[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-hydroxyphosphoryl]amino]-3-methylbutanoic acid;methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2λ5-dioxaphosphinan-2-yl]oxy]propanoate

2-amino-N-[1-[[(5S)-2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl]methyl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-N-(1-ethoxy-3-methyl-1-oxobutan-2-yl)phosphonamidic acid;2-[[[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-hydroxyphosphoryl]amino]-3-methylbutanoic acid;methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2λ5-dioxaphosphinan-2-yl]oxy]propanoate (PubChem CID 160624013) has the molecular formula C58H99N17O28P4 and a molecular weight of 1606.42 g/mol. Its IUPAC name is 2-amino-N-[1-[[(5S)-2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl]methyl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-N-(1-ethoxy-3-methyl-1-oxobutan-2-yl)phosphonamidic acid;2-[[[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-hydroxyphosphoryl]amino]-3-methylbutanoic acid;methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2λ5-dioxaphosphinan-2-yl]oxy]propanoate.

Molecular Properties

• Compound Name: 2-amino-N-[1-[[(5S)-2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl]methyl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-N-(1-ethoxy-3-methyl-1-oxobutan-2-yl)phosphonamidic acid;2-[[[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-hydroxyphosphoryl]amino]-3-methylbutanoic acid;methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2λ5-dioxaphosphinan-2-yl]oxy]propanoate
• PubChem CID: 160624013
• Molecular Formula: C58H99N17O28P4
• Molecular Weight: 1606.42 g/mol
• Exact Mass: 1605.58
• IUPAC Name: 2-amino-N-[1-[[(5S)-2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl]methyl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-N-(1-ethoxy-3-methyl-1-oxobutan-2-yl)phosphonamidic acid;2-[[[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-hydroxyphosphoryl]amino]-3-methylbutanoic acid;methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2λ5-dioxaphosphinan-2-yl]oxy]propanoate
• SMILES: CC(C)C(N)C(=O)Nc1ccn(C[C@H]2COP(=O)(O)CO2)c(=O)n1.CC(C)C(NP(=O)(O)CO[C@H](CO)Cn1ccc(N)nc1=O)C(=O)O.CCOC(=O)C(NP(=O)(O)CO[C@H](CO)Cn1ccc(N)nc1=O)C(C)C.COC(=O)C(COP1(=O)CO[C@@H](Cn2ccc(N)nc2=O)CO1)NC(=O)C(N)C(C)C
• InChI: InChI=1S/C17H28N5O8P.C15H27N4O7P.C13H23N4O7P.C13H21N4O6P/c1-10(2)14(19)15(23)20-12(16(24)27-3)8-30-31(26)9-28-11(7-29-31)6-22-5-4-13(18)21-17(22)25;1-4-25-14(21)13(10(2)3)18-27(23,24)9-26-11(8-20)7-19-6-5-12(16)17-15(19)22;1-8(2)11(12(19)20)16-25(22,23)7-24-9(6-18)5-17-4-3-10(14)15-13(17)21;1-8(2)11(14)12(18)15-10-3-4-17(13(19)16-10)5-9-6-23-24(20,21)7-22-9/h4-5,10-12,14H,6-9,19H2,1-3H3,(H,20,23)(H2,18,21,25);5-6,10-11,13,20H,4,7-9H2,1-3H3,(H2,16,17,22)(H2,18,23,24);3-4,8-9,11,18H,5-7H2,1-2H3,(H,19,20)(H2,14,15,21)(H2,16,22,23);3-4,8-9,11H,5-7,14H2,1-2H3,(H,20,21)(H,15,16,18,19)/t11-,12?,14?,31?;11-,13?;2*9-,11?/m0000/s1
• InChIKey: RHBGXROTYHSKAR-GOCLAGEWSA-N
• XLogP: -2.66
• TPSA: 675.86 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 37
• Rotatable Bonds: 35
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1606.42
LogP ≤ 5	-2.66
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[[(5S)-2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl]methyl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-N-(1-ethoxy-3-methyl-1-oxobutan-2-yl)phosphonamidic acid;2-[[[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-hydroxyphosphoryl]amino]-3-methylbutanoic acid;methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2λ5-dioxaphosphinan-2-yl]oxy]propanoate?

The IUPAC name of 2-amino-N-[1-[[(5S)-2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl]methyl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-N-(1-ethoxy-3-methyl-1-oxobutan-2-yl)phosphonamidic acid;2-[[[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-hydroxyphosphoryl]amino]-3-methylbutanoic acid;methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2λ5-dioxaphosphinan-2-yl]oxy]propanoate (CID 160624013) is 2-amino-N-[1-[[(5S)-2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl]methyl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-N-(1-ethoxy-3-methyl-1-oxobutan-2-yl)phosphonamidic acid;2-[[[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-hydroxyphosphoryl]amino]-3-methylbutanoic acid;methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2λ5-dioxaphosphinan-2-yl]oxy]propanoate.

What is the SMILES notation for 2-amino-N-[1-[[(5S)-2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl]methyl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-N-(1-ethoxy-3-methyl-1-oxobutan-2-yl)phosphonamidic acid;2-[[[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-hydroxyphosphoryl]amino]-3-methylbutanoic acid;methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2λ5-dioxaphosphinan-2-yl]oxy]propanoate?

The canonical SMILES for 2-amino-N-[1-[[(5S)-2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl]methyl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-N-(1-ethoxy-3-methyl-1-oxobutan-2-yl)phosphonamidic acid;2-[[[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-hydroxyphosphoryl]amino]-3-methylbutanoic acid;methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2λ5-dioxaphosphinan-2-yl]oxy]propanoate is CC(C)C(N)C(=O)Nc1ccn(C[C@H]2COP(=O)(O)CO2)c(=O)n1.CC(C)C(NP(=O)(O)CO[C@H](CO)Cn1ccc(N)nc1=O)C(=O)O.CCOC(=O)C(NP(=O)(O)CO[C@H](CO)Cn1ccc(N)nc1=O)C(C)C.COC(=O)C(COP1(=O)CO[C@@H](Cn2ccc(N)nc2=O)CO1)NC(=O)C(N)C(C)C.

What is the InChIKey of 2-amino-N-[1-[[(5S)-2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl]methyl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-N-(1-ethoxy-3-methyl-1-oxobutan-2-yl)phosphonamidic acid;2-[[[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-hydroxyphosphoryl]amino]-3-methylbutanoic acid;methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2λ5-dioxaphosphinan-2-yl]oxy]propanoate?

The InChIKey is RHBGXROTYHSKAR-GOCLAGEWSA-N. The full InChI is InChI=1S/C17H28N5O8P.C15H27N4O7P.C13H23N4O7P.C13H21N4O6P/c1-10(2)14(19)15(23)20-12(16(24)27-3)8-30-31(26)9-28-11(7-29-31)6-22-5-4-13(18)21-17(22)25;1-4-25-14(21)13(10(2)3)18-27(23,24)9-26-11(8-20)7-19-6-5-12(16)17-15(19)22;1-8(2)11(12(19)20)16-25(22,23)7-24-9(6-18)5-17-4-3-10(14)15-13(17)21;1-8(2)11(14)12(18)15-10-3-4-17(13(19)16-10)5-9-6-23-24(20,21)7-22-9/h4-5,10-12,14H,6-9,19H2,1-3H3,(H,20,23)(H2,18,21,25);5-6,10-11,13,20H,4,7-9H2,1-3H3,(H2,16,17,22)(H2,18,23,24);3-4,8-9,11,18H,5-7H2,1-2H3,(H,19,20)(H2,14,15,21)(H2,16,22,23);3-4,8-9,11H,5-7,14H2,1-2H3,(H,20,21)(H,15,16,18,19)/t11-,12?,14?,31?;11-,13?;2*9-,11?/m0000/s1.

What are the key properties of 2-amino-N-[1-[[(5S)-2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl]methyl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-N-(1-ethoxy-3-methyl-1-oxobutan-2-yl)phosphonamidic acid;2-[[[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-hydroxyphosphoryl]amino]-3-methylbutanoic acid;methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2λ5-dioxaphosphinan-2-yl]oxy]propanoate?

2-amino-N-[1-[[(5S)-2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl]methyl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-N-(1-ethoxy-3-methyl-1-oxobutan-2-yl)phosphonamidic acid;2-[[[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-hydroxyphosphoryl]amino]-3-methylbutanoic acid;methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2λ5-dioxaphosphinan-2-yl]oxy]propanoate has a molecular weight of 1606.42 g/mol, XLogP of -2.66, 35 rotatable bonds, 15 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-[[(5S)-2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl]methyl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-N-(1-ethoxy-3-methyl-1-oxobutan-2-yl)phosphonamidic acid;2-[[[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-hydroxyphosphoryl]amino]-3-methylbutanoic acid;methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2λ5-dioxaphosphinan-2-yl]oxy]propanoate is sourced from PubChem (CID 160624013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).