tetralithium;[[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

C10H11FLi4N5O13P3 — CID 155889731

About tetralithium;[[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

tetralithium;[[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (PubChem CID 155889731) has the molecular formula C10H11FLi4N5O13P3 and a molecular weight of 548.90 g/mol. Its IUPAC name is tetralithium;[[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.

Molecular Properties

• Compound Name: tetralithium;[[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
• PubChem CID: 155889731
• Molecular Formula: C10H11FLi4N5O13P3
• Molecular Weight: 548.90 g/mol
• Exact Mass: 549.02
• IUPAC Name: tetralithium;[[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
• SMILES: Nc1nc2c(ncn2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(O)C2F)c(=O)[nH]1.[Li+].[Li+].[Li+].[Li+]
• InChI: InChI=1S/C10H15FN5O13P3.4Li/c11-4-6(17)3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18;;;;/h2-4,6,9,17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,14,15,18);;;;/q;4*+1/p-4
• InChIKey: IOOLJZVLZBIRPD-UHFFFAOYSA-J
• XLogP: -15.87
• TPSA: 290.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.90
LogP ≤ 5	-15.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetralithium;[[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?

The IUPAC name of tetralithium;[[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (CID 155889731) is tetralithium;[[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.

What is the SMILES notation for tetralithium;[[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?

The canonical SMILES for tetralithium;[[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate is Nc1nc2c(ncn2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(O)C2F)c(=O)[nH]1.[Li+].[Li+].[Li+].[Li+].

What is the InChIKey of tetralithium;[[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?

The InChIKey is IOOLJZVLZBIRPD-UHFFFAOYSA-J. The full InChI is InChI=1S/C10H15FN5O13P3.4Li/c11-4-6(17)3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18;;;;/h2-4,6,9,17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,14,15,18);;;;/q;4*+1/p-4.

What are the key properties of tetralithium;[[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?

tetralithium;[[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate has a molecular weight of 548.90 g/mol, XLogP of -15.87, 8 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tetralithium;[[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate is sourced from PubChem (CID 155889731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).