tetralithium;[[[(2S,3S,5R)-3-amino-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

C9H13Li4N4O12P3 — CID 172642341

About tetralithium;[[[(2S,3S,5R)-3-amino-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

tetralithium;[[[(2S,3S,5R)-3-amino-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (PubChem CID 172642341) has the molecular formula C9H13Li4N4O12P3 and a molecular weight of 489.91 g/mol. Its IUPAC name is tetralithium;[[[(2S,3S,5R)-3-amino-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.

Molecular Properties

• Compound Name: tetralithium;[[[(2S,3S,5R)-3-amino-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
• PubChem CID: 172642341
• Molecular Formula: C9H13Li4N4O12P3
• Molecular Weight: 489.91 g/mol
• Exact Mass: 490.04
• IUPAC Name: tetralithium;[[[(2S,3S,5R)-3-amino-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
• SMILES: Nc1ccn([C@H]2C[C@H](N)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O2)c(=O)n1.[Li+].[Li+].[Li+].[Li+]
• InChI: InChI=1S/C9H17N4O12P3.4Li/c10-5-3-8(13-2-1-7(11)12-9(13)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17;;;;/h1-2,5-6,8H,3-4,10H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17);;;;/q;4*+1/p-4/t5-,6+,8+;;;;/m0..../s1
• InChIKey: LAOQSLJXUBCGMQ-OIXZBRQUSA-J
• XLogP: -15.73
• TPSA: 267.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.91
LogP ≤ 5	-15.73
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;[[[(2S,3S,5R)-3-amino-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?

The IUPAC name of tetralithium;[[[(2S,3S,5R)-3-amino-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (CID 172642341) is tetralithium;[[[(2S,3S,5R)-3-amino-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.

What is the SMILES notation for tetralithium;[[[(2S,3S,5R)-3-amino-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?

The canonical SMILES for tetralithium;[[[(2S,3S,5R)-3-amino-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate is Nc1ccn([C@H]2C[C@H](N)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O2)c(=O)n1.[Li+].[Li+].[Li+].[Li+].

What is the InChIKey of tetralithium;[[[(2S,3S,5R)-3-amino-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?

The InChIKey is LAOQSLJXUBCGMQ-OIXZBRQUSA-J. The full InChI is InChI=1S/C9H17N4O12P3.4Li/c10-5-3-8(13-2-1-7(11)12-9(13)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17;;;;/h1-2,5-6,8H,3-4,10H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17);;;;/q;4*+1/p-4/t5-,6+,8+;;;;/m0..../s1.

What are the key properties of tetralithium;[[[(2S,3S,5R)-3-amino-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?

tetralithium;[[[(2S,3S,5R)-3-amino-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate has a molecular weight of 489.91 g/mol, XLogP of -15.73, 8 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tetralithium;[[[(2S,3S,5R)-3-amino-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate is sourced from PubChem (CID 172642341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).