[(1R)-1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-2-hydroxyethyl] dihydrogen phosphate

C10H14FN2O9P — CID 170689111

About [(1R)-1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-2-hydroxyethyl] dihydrogen phosphate

[(1R)-1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-2-hydroxyethyl] dihydrogen phosphate (PubChem CID 170689111) has the molecular formula C10H14FN2O9P and a molecular weight of 356.20 g/mol. Its IUPAC name is [(1R)-1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-2-hydroxyethyl] dihydrogen phosphate.

Molecular Properties

• Compound Name: [(1R)-1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-2-hydroxyethyl] dihydrogen phosphate
• PubChem CID: 170689111
• Molecular Formula: C10H14FN2O9P
• Molecular Weight: 356.20 g/mol
• Exact Mass: 356.04
• IUPAC Name: [(1R)-1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-2-hydroxyethyl] dihydrogen phosphate
• SMILES: O=c1[nH]c(=O)n([C@H]2CC(O)[C@@H]([C@@H](CO)OP(=O)(O)O)O2)cc1F
• InChI: InChI=1S/C10H14FN2O9P/c11-4-2-13(10(17)12-9(4)16)7-1-5(15)8(21-7)6(3-14)22-23(18,19)20/h2,5-8,14-15H,1,3H2,(H,12,16,17)(H2,18,19,20)/t5?,6-,7-,8+/m1/s1
• InChIKey: LIJPYWQDDUBCKP-IDWMTUBTSA-N
• XLogP: -2.21
• TPSA: 171.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.20
LogP ≤ 5	-2.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-2-hydroxyethyl] dihydrogen phosphate?

The IUPAC name of [(1R)-1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-2-hydroxyethyl] dihydrogen phosphate (CID 170689111) is [(1R)-1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-2-hydroxyethyl] dihydrogen phosphate.

What is the SMILES notation for [(1R)-1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-2-hydroxyethyl] dihydrogen phosphate?

The canonical SMILES for [(1R)-1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-2-hydroxyethyl] dihydrogen phosphate is O=c1[nH]c(=O)n([C@H]2CC(O)[C@@H]([C@@H](CO)OP(=O)(O)O)O2)cc1F.

What is the InChIKey of [(1R)-1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-2-hydroxyethyl] dihydrogen phosphate?

The InChIKey is LIJPYWQDDUBCKP-IDWMTUBTSA-N. The full InChI is InChI=1S/C10H14FN2O9P/c11-4-2-13(10(17)12-9(4)16)7-1-5(15)8(21-7)6(3-14)22-23(18,19)20/h2,5-8,14-15H,1,3H2,(H,12,16,17)(H2,18,19,20)/t5?,6-,7-,8+/m1/s1.

What are the key properties of [(1R)-1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-2-hydroxyethyl] dihydrogen phosphate?

[(1R)-1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-2-hydroxyethyl] dihydrogen phosphate has a molecular weight of 356.20 g/mol, XLogP of -2.21, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-2-hydroxyethyl] dihydrogen phosphate is sourced from PubChem (CID 170689111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).