4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3,4-dihydropyridin-2-one;4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-oxopent-1-ynyl)-3,4-dihydropyridin-2-one;2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4a,5-dihydro-4H-cyclopenta[c]pyridin-3-one;[[3,4-dihydroxy-5-(2-oxo-7,7a-dihydro-1H-cyclopenta[d]pyrimidin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;methoxyethene;palladium;phosphanylphosphane

C53H81IN7O31P5Pd — CID 158082311

About 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3,4-dihydropyridin-2-one;4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-oxopent-1-ynyl)-3,4-dihydropyridin-2-one;2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4a,5-dihydro-4H-cyclopenta[c]pyridin-3-one;[[3,4-dihydroxy-5-(2-oxo-7,7a-dihydro-1H-cyclopenta[d]pyrimidin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;methoxyethene;palladium;phosphanylphosphane

4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3,4-dihydropyridin-2-one;4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-oxopent-1-ynyl)-3,4-dihydropyridin-2-one;2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4a,5-dihydro-4H-cyclopenta[c]pyridin-3-one;[[3,4-dihydroxy-5-(2-oxo-7,7a-dihydro-1H-cyclopenta[d]pyrimidin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;methoxyethene;palladium;phosphanylphosphane (PubChem CID 158082311) has the molecular formula C53H81IN7O31P5Pd and a molecular weight of 1700.44 g/mol. Its IUPAC name is 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3,4-dihydropyridin-2-one;4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-oxopent-1-ynyl)-3,4-dihydropyridin-2-one;2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4a,5-dihydro-4H-cyclopenta[c]pyridin-3-one;[[3,4-dihydroxy-5-(2-oxo-7,7a-dihydro-1H-cyclopenta[d]pyrimidin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;methoxyethene;palladium;phosphanylphosphane.

Molecular Properties

• Compound Name: 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3,4-dihydropyridin-2-one;4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-oxopent-1-ynyl)-3,4-dihydropyridin-2-one;2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4a,5-dihydro-4H-cyclopenta[c]pyridin-3-one;[[3,4-dihydroxy-5-(2-oxo-7,7a-dihydro-1H-cyclopenta[d]pyrimidin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;methoxyethene;palladium;phosphanylphosphane
• PubChem CID: 158082311
• Molecular Formula: C53H81IN7O31P5Pd
• Molecular Weight: 1700.44 g/mol
• Exact Mass: 1699.17
• IUPAC Name: 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3,4-dihydropyridin-2-one;4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-oxopent-1-ynyl)-3,4-dihydropyridin-2-one;2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4a,5-dihydro-4H-cyclopenta[c]pyridin-3-one;[[3,4-dihydroxy-5-(2-oxo-7,7a-dihydro-1H-cyclopenta[d]pyrimidin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;methoxyethene;palladium;phosphanylphosphane
• SMILES: C=COC.CC(=O)CC#CC1=CN(C2OC(CO)C(O)C2O)C(=O)CC1N.NC1CC(=O)N(C2OC(CO)C(O)C2O)C=C1I.O=C1CC2CC=CC2=CN1C1OC(CO)C(O)C1O.O=C1NC2CC=CC2=CN1C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.PP.[Pd]
• InChI: InChI=1S/C15H20N2O6.C13H17NO5.C12H19N2O14P3.C10H15IN2O5.C3H6O.H4P2.Pd/c1-8(19)3-2-4-9-6-17(12(20)5-10(9)16)15-14(22)13(21)11(7-18)23-15;15-6-9-11(17)12(18)13(19-9)14-5-8-3-1-2-7(8)4-10(14)16;15-9-8(5-25-30(21,22)28-31(23,24)27-29(18,19)20)26-11(10(9)16)14-4-6-2-1-3-7(6)13-12(14)17;11-4-2-13(7(15)1-5(4)12)10-9(17)8(16)6(3-14)18-10;1-3-4-2;1-2;/h6,10-11,13-15,18,21-22H,3,5,7,16H2,1H3;1,3,5,7,9,11-13,15,17-18H,2,4,6H2;1-2,4,7-11,15-16H,3,5H2,(H,13,17)(H,21,22)(H,23,24)(H2,18,19,20);2,5-6,8-10,14,16-17H,1,3,12H2;3H,1H2,2H3;1-2H2
• InChIKey: QTIQKFZNUQKFRA-UHFFFAOYSA-N
• XLogP: -4.33
• TPSA: 590.88 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 29
• Rotatable Bonds: 16
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1700.44
LogP ≤ 5	-4.33
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3,4-dihydropyridin-2-one;4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-oxopent-1-ynyl)-3,4-dihydropyridin-2-one;2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4a,5-dihydro-4H-cyclopenta[c]pyridin-3-one;[[3,4-dihydroxy-5-(2-oxo-7,7a-dihydro-1H-cyclopenta[d]pyrimidin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;methoxyethene;palladium;phosphanylphosphane?

The IUPAC name of 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3,4-dihydropyridin-2-one;4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-oxopent-1-ynyl)-3,4-dihydropyridin-2-one;2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4a,5-dihydro-4H-cyclopenta[c]pyridin-3-one;[[3,4-dihydroxy-5-(2-oxo-7,7a-dihydro-1H-cyclopenta[d]pyrimidin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;methoxyethene;palladium;phosphanylphosphane (CID 158082311) is 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3,4-dihydropyridin-2-one;4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-oxopent-1-ynyl)-3,4-dihydropyridin-2-one;2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4a,5-dihydro-4H-cyclopenta[c]pyridin-3-one;[[3,4-dihydroxy-5-(2-oxo-7,7a-dihydro-1H-cyclopenta[d]pyrimidin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;methoxyethene;palladium;phosphanylphosphane.

What is the SMILES notation for 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3,4-dihydropyridin-2-one;4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-oxopent-1-ynyl)-3,4-dihydropyridin-2-one;2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4a,5-dihydro-4H-cyclopenta[c]pyridin-3-one;[[3,4-dihydroxy-5-(2-oxo-7,7a-dihydro-1H-cyclopenta[d]pyrimidin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;methoxyethene;palladium;phosphanylphosphane?

The canonical SMILES for 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3,4-dihydropyridin-2-one;4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-oxopent-1-ynyl)-3,4-dihydropyridin-2-one;2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4a,5-dihydro-4H-cyclopenta[c]pyridin-3-one;[[3,4-dihydroxy-5-(2-oxo-7,7a-dihydro-1H-cyclopenta[d]pyrimidin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;methoxyethene;palladium;phosphanylphosphane is C=COC.CC(=O)CC#CC1=CN(C2OC(CO)C(O)C2O)C(=O)CC1N.NC1CC(=O)N(C2OC(CO)C(O)C2O)C=C1I.O=C1CC2CC=CC2=CN1C1OC(CO)C(O)C1O.O=C1NC2CC=CC2=CN1C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.PP.[Pd].

What is the InChIKey of 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3,4-dihydropyridin-2-one;4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-oxopent-1-ynyl)-3,4-dihydropyridin-2-one;2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4a,5-dihydro-4H-cyclopenta[c]pyridin-3-one;[[3,4-dihydroxy-5-(2-oxo-7,7a-dihydro-1H-cyclopenta[d]pyrimidin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;methoxyethene;palladium;phosphanylphosphane?

The InChIKey is QTIQKFZNUQKFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6.C13H17NO5.C12H19N2O14P3.C10H15IN2O5.C3H6O.H4P2.Pd/c1-8(19)3-2-4-9-6-17(12(20)5-10(9)16)15-14(22)13(21)11(7-18)23-15;15-6-9-11(17)12(18)13(19-9)14-5-8-3-1-2-7(8)4-10(14)16;15-9-8(5-25-30(21,22)28-31(23,24)27-29(18,19)20)26-11(10(9)16)14-4-6-2-1-3-7(6)13-12(14)17;11-4-2-13(7(15)1-5(4)12)10-9(17)8(16)6(3-14)18-10;1-3-4-2;1-2;/h6,10-11,13-15,18,21-22H,3,5,7,16H2,1H3;1,3,5,7,9,11-13,15,17-18H,2,4,6H2;1-2,4,7-11,15-16H,3,5H2,(H,13,17)(H,21,22)(H,23,24)(H2,18,19,20);2,5-6,8-10,14,16-17H,1,3,12H2;3H,1H2,2H3;1-2H2;.

What are the key properties of 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3,4-dihydropyridin-2-one;4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-oxopent-1-ynyl)-3,4-dihydropyridin-2-one;2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4a,5-dihydro-4H-cyclopenta[c]pyridin-3-one;[[3,4-dihydroxy-5-(2-oxo-7,7a-dihydro-1H-cyclopenta[d]pyrimidin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;methoxyethene;palladium;phosphanylphosphane?

4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3,4-dihydropyridin-2-one;4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-oxopent-1-ynyl)-3,4-dihydropyridin-2-one;2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4a,5-dihydro-4H-cyclopenta[c]pyridin-3-one;[[3,4-dihydroxy-5-(2-oxo-7,7a-dihydro-1H-cyclopenta[d]pyrimidin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;methoxyethene;palladium;phosphanylphosphane has a molecular weight of 1700.44 g/mol, XLogP of -4.33, 16 rotatable bonds, 18 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3,4-dihydropyridin-2-one;4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-oxopent-1-ynyl)-3,4-dihydropyridin-2-one;2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4a,5-dihydro-4H-cyclopenta[c]pyridin-3-one;[[3,4-dihydroxy-5-(2-oxo-7,7a-dihydro-1H-cyclopenta[d]pyrimidin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;methoxyethene;palladium;phosphanylphosphane is sourced from PubChem (CID 158082311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).