tetralithium;[[[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

C10H13Li4N2O15P3 — CID 138454064

About tetralithium;[[[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

tetralithium;[[[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (PubChem CID 138454064) has the molecular formula C10H13Li4N2O15P3 and a molecular weight of 521.90 g/mol. Its IUPAC name is tetralithium;[[[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.

Molecular Properties

• Compound Name: tetralithium;[[[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
• PubChem CID: 138454064
• Molecular Formula: C10H13Li4N2O15P3
• Molecular Weight: 521.90 g/mol
• Exact Mass: 522.02
• IUPAC Name: tetralithium;[[[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
• SMILES: COC1C(O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])OC1n1ccc(=O)[nH]c1=O.[Li+].[Li+].[Li+].[Li+]
• InChI: InChI=1S/C10H17N2O15P3.4Li/c1-23-8-7(14)5(25-9(8)12-3-2-6(13)11-10(12)15)4-24-29(19,20)27-30(21,22)26-28(16,17)18;;;;/h2-3,5,7-9,14H,4H2,1H3,(H,19,20)(H,21,22)(H,11,13,15)(H2,16,17,18);;;;/q;4*+1/p-4
• InChIKey: RLUXCOQXRGKUNE-UHFFFAOYSA-J
• XLogP: -16.36
• TPSA: 264.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.90
LogP ≤ 5	-16.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetralithium;[[[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?

The IUPAC name of tetralithium;[[[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (CID 138454064) is tetralithium;[[[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.

What is the SMILES notation for tetralithium;[[[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?

The canonical SMILES for tetralithium;[[[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate is COC1C(O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])OC1n1ccc(=O)[nH]c1=O.[Li+].[Li+].[Li+].[Li+].

What is the InChIKey of tetralithium;[[[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?

The InChIKey is RLUXCOQXRGKUNE-UHFFFAOYSA-J. The full InChI is InChI=1S/C10H17N2O15P3.4Li/c1-23-8-7(14)5(25-9(8)12-3-2-6(13)11-10(12)15)4-24-29(19,20)27-30(21,22)26-28(16,17)18;;;;/h2-3,5,7-9,14H,4H2,1H3,(H,19,20)(H,21,22)(H,11,13,15)(H2,16,17,18);;;;/q;4*+1/p-4.

What are the key properties of tetralithium;[[[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?

tetralithium;[[[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate has a molecular weight of 521.90 g/mol, XLogP of -16.36, 9 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tetralithium;[[[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate is sourced from PubChem (CID 138454064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).