tetralithium;[[[3,4-dihydroxy-5-(5-methoxycarbonyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

C11H13Li4N2O17P3 — CID 171323135

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

tetralithium;[[[3,4-dihydroxy-5-(5-methoxycarbonyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (PubChem CID 171323135) has the molecular formula C11H13Li4N2O17P3 and a molecular weight of 565.91 g/mol. Its IUPAC name is tetralithium;[[[3,4-dihydroxy-5-(5-methoxycarbonyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.

Molecular Properties

• Compound Name: tetralithium;[[[3,4-dihydroxy-5-(5-methoxycarbonyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
• PubChem CID: 171323135
• Molecular Formula: C11H13Li4N2O17P3
• Molecular Weight: 565.91 g/mol
• Exact Mass: 566.01
• IUPAC Name: tetralithium;[[[3,4-dihydroxy-5-(5-methoxycarbonyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
• SMILES: COC(=O)c1cn(C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(O)C2O)c(=O)[nH]c1=O.[Li+].[Li+].[Li+].[Li+]
• InChI: InChI=1S/C11H17N2O17P3.4Li/c1-26-10(17)4-2-13(11(18)12-8(4)16)9-7(15)6(14)5(28-9)3-27-32(22,23)30-33(24,25)29-31(19,20)21;;;;/h2,5-7,9,14-15H,3H2,1H3,(H,22,23)(H,24,25)(H,12,16,18)(H2,19,20,21);;;;/q;4*+1/p-4
• InChIKey: YJCQWFHFMIPBPI-UHFFFAOYSA-J
• XLogP: -17.23
• TPSA: 301.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.91
LogP ≤ 5	-17.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of tetralithium;[[[3,4-dihydroxy-5-(5-methoxycarbonyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (CID 171323135) is tetralithium;[[[3,4-dihydroxy-5-(5-methoxycarbonyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.

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

The canonical SMILES for tetralithium;[[[3,4-dihydroxy-5-(5-methoxycarbonyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate is COC(=O)c1cn(C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(O)C2O)c(=O)[nH]c1=O.[Li+].[Li+].[Li+].[Li+].

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

The InChIKey is YJCQWFHFMIPBPI-UHFFFAOYSA-J. The full InChI is InChI=1S/C11H17N2O17P3.4Li/c1-26-10(17)4-2-13(11(18)12-8(4)16)9-7(15)6(14)5(28-9)3-27-32(22,23)30-33(24,25)29-31(19,20)21;;;;/h2,5-7,9,14-15H,3H2,1H3,(H,22,23)(H,24,25)(H,12,16,18)(H2,19,20,21);;;;/q;4*+1/p-4.

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

tetralithium;[[[3,4-dihydroxy-5-(5-methoxycarbonyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate has a molecular weight of 565.91 g/mol, XLogP of -17.23, 9 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tetralithium;[[[3,4-dihydroxy-5-(5-methoxycarbonyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate is sourced from PubChem (CID 171323135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).