Tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

C₂₂H₃₃Li₄N₆O₁₅P₃ — CID 171323275

About Tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

Tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (PubChem CID 171323275) has the molecular formula C₂₂H₃₃Li₄N₆O₁₅P₃ and a molecular weight of 742.22 g/mol. Its IUPAC name is tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.

Molecular Properties

• Compound Name: Tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
• PubChem CID: 171323275
• Molecular Formula: C₂₂H₃₃Li₄N₆O₁₅P₃
• Molecular Weight: 742.22 g/mol
• Exact Mass: 742.19
• IUPAC Name: tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
• SMILES: CC1NC(=O)NC1CCCCCC(=O)NCC=Cc1cn(C2CC(O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O2)c(=O)nc1N.[Li+].[Li+].[Li+].[Li+]
• InChI: InChI=1S/C22H37N6O15P3.4Li/c1-13-15(26-21(31)25-13)7-3-2-4-8-18(30)24-9-5-6-14-11-28(22(32)27-20(14)23)19-10-16(29)17(41-19)12-40-45(36,37)43-46(38,39)42-44(33,34)35;;;;/h5-6,11,13,15-17,19,29H,2-4,7-10,12H2,1H3,(H,24,30)(H,36,37)(H,38,39)(H2,23,27,32)(H2,25,26,31)(H2,33,34,35);;;;/q;4*+1/p-4
• InChIKey: IMKFWUJJUWCXKV-UHFFFAOYSA-J
• XLogP: -14.55
• TPSA: 331.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.22
LogP ≤ 5	-14.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?

The IUPAC name of Tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (CID 171323275) is tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.

What is the SMILES notation for Tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?

The canonical SMILES for Tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate is CC1NC(=O)NC1CCCCCC(=O)NCC=Cc1cn(C2CC(O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O2)c(=O)nc1N.[Li+].[Li+].[Li+].[Li+].

What is the InChIKey of Tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?

The InChIKey is IMKFWUJJUWCXKV-UHFFFAOYSA-J. The full InChI is InChI=1S/C22H37N6O15P3.4Li/c1-13-15(26-21(31)25-13)7-3-2-4-8-18(30)24-9-5-6-14-11-28(22(32)27-20(14)23)19-10-16(29)17(41-19)12-40-45(36,37)43-46(38,39)42-44(33,34)35;;;;/h5-6,11,13,15-17,19,29H,2-4,7-10,12H2,1H3,(H,24,30)(H,36,37)(H,38,39)(H2,23,27,32)(H2,25,26,31)(H2,33,34,35);;;;/q;4*+1/p-4.

What are the key properties of Tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?

Tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate has a molecular weight of 742.22 g/mol, XLogP of -14.55, 17 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for Tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate is sourced from PubChem (CID 171323275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171323275 — identifiers, structure, computed properties (public domain)

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