N-[(1S,3R,7R)-3-(2,4-dioxopyrimidin-1-yl)-1-(methoxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-methoxyphosphonamidic acid;[(5R,7S,8S)-5-(methoxymethyl)-7-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(1-oxoisoquinolin-2-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(2-oxo-1-pyridinyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate

C52H75N5O31P4 — CID 159549493

About N-[(1S,3R,7R)-3-(2,4-dioxopyrimidin-1-yl)-1-(methoxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-methoxyphosphonamidic acid;[(5R,7S,8S)-5-(methoxymethyl)-7-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(1-oxoisoquinolin-2-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(2-oxo-1-pyridinyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate

N-[(1S,3R,7R)-3-(2,4-dioxopyrimidin-1-yl)-1-(methoxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-methoxyphosphonamidic acid;[(5R,7S,8S)-5-(methoxymethyl)-7-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(1-oxoisoquinolin-2-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(2-oxo-1-pyridinyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate (PubChem CID 159549493) has the molecular formula C52H75N5O31P4 and a molecular weight of 1390.07 g/mol. Its IUPAC name is N-[(1S,3R,7R)-3-(2,4-dioxopyrimidin-1-yl)-1-(methoxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-methoxyphosphonamidic acid;[(5R,7S,8S)-5-(methoxymethyl)-7-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(1-oxoisoquinolin-2-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(2-oxo-1-pyridinyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate.

Molecular Properties

• Compound Name: N-[(1S,3R,7R)-3-(2,4-dioxopyrimidin-1-yl)-1-(methoxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-methoxyphosphonamidic acid;[(5R,7S,8S)-5-(methoxymethyl)-7-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(1-oxoisoquinolin-2-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(2-oxo-1-pyridinyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate
• PubChem CID: 159549493
• Molecular Formula: C52H75N5O31P4
• Molecular Weight: 1390.07 g/mol
• Exact Mass: 1389.34
• IUPAC Name: N-[(1S,3R,7R)-3-(2,4-dioxopyrimidin-1-yl)-1-(methoxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-methoxyphosphonamidic acid;[(5R,7S,8S)-5-(methoxymethyl)-7-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(1-oxoisoquinolin-2-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(2-oxo-1-pyridinyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate
• SMILES: COC[C@@]12CCOC([C@H](C)O1)[C@@H]2OP(=O)(O)OC.COC[C@@]12COC([C@H](n3ccc(=O)[nH]c3=O)O1)[C@H]2NP(=O)(O)OC.COC[C@@]12COC([C@H](n3ccc4ccccc4c3=O)O1)[C@H]2OP(=O)(O)OC.COC[C@@]12COC([C@H](n3ccccc3=O)O1)[C@H]2OP(=O)(O)OC
• InChI: InChI=1S/C17H20NO8P.C13H18NO8P.C12H18N3O8P.C10H19O7P/c1-22-9-17-10-24-13(14(17)26-27(20,21)23-2)16(25-17)18-8-7-11-5-3-4-6-12(11)15(18)19;1-18-7-13-8-20-10(11(13)22-23(16,17)19-2)12(21-13)14-6-4-3-5-9(14)15;1-20-5-12-6-22-8(9(12)14-24(18,19)21-2)10(23-12)15-4-3-7(16)13-11(15)17;1-7-8-9(17-18(11,12)14-3)10(16-7,6-13-2)4-5-15-8/h3-8,13-14,16H,9-10H2,1-2H3,(H,20,21);3-6,10-12H,7-8H2,1-2H3,(H,16,17);3-4,8-10H,5-6H2,1-2H3,(H,13,16,17)(H2,14,18,19);7-9H,4-6H2,1-3H3,(H,11,12)/t13?,14-,16-,17+;10?,11-,12-,13+;8?,9-,10-,12+;7-,8?,9-,10+/m1110/s1
• InChIKey: MFFFCKPDHFWEEO-NGCPFSNPSA-N
• XLogP: 1.00
• TPSA: 435.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1390.07
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R,7R)-3-(2,4-dioxopyrimidin-1-yl)-1-(methoxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-methoxyphosphonamidic acid;[(5R,7S,8S)-5-(methoxymethyl)-7-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(1-oxoisoquinolin-2-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(2-oxo-1-pyridinyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate?

The IUPAC name of N-[(1S,3R,7R)-3-(2,4-dioxopyrimidin-1-yl)-1-(methoxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-methoxyphosphonamidic acid;[(5R,7S,8S)-5-(methoxymethyl)-7-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(1-oxoisoquinolin-2-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(2-oxo-1-pyridinyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate (CID 159549493) is N-[(1S,3R,7R)-3-(2,4-dioxopyrimidin-1-yl)-1-(methoxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-methoxyphosphonamidic acid;[(5R,7S,8S)-5-(methoxymethyl)-7-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(1-oxoisoquinolin-2-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(2-oxo-1-pyridinyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate.

What is the SMILES notation for N-[(1S,3R,7R)-3-(2,4-dioxopyrimidin-1-yl)-1-(methoxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-methoxyphosphonamidic acid;[(5R,7S,8S)-5-(methoxymethyl)-7-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(1-oxoisoquinolin-2-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(2-oxo-1-pyridinyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate?

The canonical SMILES for N-[(1S,3R,7R)-3-(2,4-dioxopyrimidin-1-yl)-1-(methoxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-methoxyphosphonamidic acid;[(5R,7S,8S)-5-(methoxymethyl)-7-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(1-oxoisoquinolin-2-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(2-oxo-1-pyridinyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate is COC[C@@]12CCOC([C@H](C)O1)[C@@H]2OP(=O)(O)OC.COC[C@@]12COC([C@H](n3ccc(=O)[nH]c3=O)O1)[C@H]2NP(=O)(O)OC.COC[C@@]12COC([C@H](n3ccc4ccccc4c3=O)O1)[C@H]2OP(=O)(O)OC.COC[C@@]12COC([C@H](n3ccccc3=O)O1)[C@H]2OP(=O)(O)OC.

What is the InChIKey of N-[(1S,3R,7R)-3-(2,4-dioxopyrimidin-1-yl)-1-(methoxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-methoxyphosphonamidic acid;[(5R,7S,8S)-5-(methoxymethyl)-7-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(1-oxoisoquinolin-2-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(2-oxo-1-pyridinyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate?

The InChIKey is MFFFCKPDHFWEEO-NGCPFSNPSA-N. The full InChI is InChI=1S/C17H20NO8P.C13H18NO8P.C12H18N3O8P.C10H19O7P/c1-22-9-17-10-24-13(14(17)26-27(20,21)23-2)16(25-17)18-8-7-11-5-3-4-6-12(11)15(18)19;1-18-7-13-8-20-10(11(13)22-23(16,17)19-2)12(21-13)14-6-4-3-5-9(14)15;1-20-5-12-6-22-8(9(12)14-24(18,19)21-2)10(23-12)15-4-3-7(16)13-11(15)17;1-7-8-9(17-18(11,12)14-3)10(16-7,6-13-2)4-5-15-8/h3-8,13-14,16H,9-10H2,1-2H3,(H,20,21);3-6,10-12H,7-8H2,1-2H3,(H,16,17);3-4,8-10H,5-6H2,1-2H3,(H,13,16,17)(H2,14,18,19);7-9H,4-6H2,1-3H3,(H,11,12)/t13?,14-,16-,17+;10?,11-,12-,13+;8?,9-,10-,12+;7-,8?,9-,10+/m1110/s1.

What are the key properties of N-[(1S,3R,7R)-3-(2,4-dioxopyrimidin-1-yl)-1-(methoxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-methoxyphosphonamidic acid;[(5R,7S,8S)-5-(methoxymethyl)-7-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(1-oxoisoquinolin-2-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(2-oxo-1-pyridinyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate?

N-[(1S,3R,7R)-3-(2,4-dioxopyrimidin-1-yl)-1-(methoxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-methoxyphosphonamidic acid;[(5R,7S,8S)-5-(methoxymethyl)-7-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(1-oxoisoquinolin-2-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(2-oxo-1-pyridinyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate has a molecular weight of 1390.07 g/mol, XLogP of 1.00, 23 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,3R,7R)-3-(2,4-dioxopyrimidin-1-yl)-1-(methoxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-methoxyphosphonamidic acid;[(5R,7S,8S)-5-(methoxymethyl)-7-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(1-oxoisoquinolin-2-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;[(1S,3R,7R)-1-(methoxymethyl)-3-(2-oxo-1-pyridinyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate is sourced from PubChem (CID 159549493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).