[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-oxo-3-pyridin-2-yl-1,3,2λ5-oxazaphospholidin-2-yl)oxymethyl]oxolan-3-yl] acetate

C19H23N4O8P — CID 71484268

About [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-oxo-3-pyridin-2-yl-1,3,2λ5-oxazaphospholidin-2-yl)oxymethyl]oxolan-3-yl] acetate

[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-oxo-3-pyridin-2-yl-1,3,2λ5-oxazaphospholidin-2-yl)oxymethyl]oxolan-3-yl] acetate (PubChem CID 71484268) has the molecular formula C19H23N4O8P and a molecular weight of 466.39 g/mol. Its IUPAC name is [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-oxo-3-pyridin-2-yl-1,3,2λ5-oxazaphospholidin-2-yl)oxymethyl]oxolan-3-yl] acetate.

Molecular Properties

• Compound Name: [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-oxo-3-pyridin-2-yl-1,3,2λ5-oxazaphospholidin-2-yl)oxymethyl]oxolan-3-yl] acetate
• PubChem CID: 71484268
• Molecular Formula: C19H23N4O8P
• Molecular Weight: 466.39 g/mol
• Exact Mass: 466.13
• IUPAC Name: [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-oxo-3-pyridin-2-yl-1,3,2λ5-oxazaphospholidin-2-yl)oxymethyl]oxolan-3-yl] acetate
• SMILES: CC(=O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP1(=O)OCCN1c1ccccn1
• InChI: InChI=1S/C19H23N4O8P/c1-12-10-22(19(26)21-18(12)25)17-9-14(30-13(2)24)15(31-17)11-29-32(27)23(7-8-28-32)16-5-3-4-6-20-16/h3-6,10,14-15,17H,7-9,11H2,1-2H3,(H,21,25,26)/t14-,15+,17+,32?/m0/s1
• InChIKey: KWPHWMQBODYIGC-MLYLFGNRSA-N
• XLogP: 1.12
• TPSA: 142.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.39
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-oxo-3-pyridin-2-yl-1,3,2λ5-oxazaphospholidin-2-yl)oxymethyl]oxolan-3-yl] acetate?

The IUPAC name of [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-oxo-3-pyridin-2-yl-1,3,2λ5-oxazaphospholidin-2-yl)oxymethyl]oxolan-3-yl] acetate (CID 71484268) is [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-oxo-3-pyridin-2-yl-1,3,2λ5-oxazaphospholidin-2-yl)oxymethyl]oxolan-3-yl] acetate.

What is the SMILES notation for [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-oxo-3-pyridin-2-yl-1,3,2λ5-oxazaphospholidin-2-yl)oxymethyl]oxolan-3-yl] acetate?

The canonical SMILES for [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-oxo-3-pyridin-2-yl-1,3,2λ5-oxazaphospholidin-2-yl)oxymethyl]oxolan-3-yl] acetate is CC(=O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP1(=O)OCCN1c1ccccn1.

What is the InChIKey of [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-oxo-3-pyridin-2-yl-1,3,2λ5-oxazaphospholidin-2-yl)oxymethyl]oxolan-3-yl] acetate?

The InChIKey is KWPHWMQBODYIGC-MLYLFGNRSA-N. The full InChI is InChI=1S/C19H23N4O8P/c1-12-10-22(19(26)21-18(12)25)17-9-14(30-13(2)24)15(31-17)11-29-32(27)23(7-8-28-32)16-5-3-4-6-20-16/h3-6,10,14-15,17H,7-9,11H2,1-2H3,(H,21,25,26)/t14-,15+,17+,32?/m0/s1.

What are the key properties of [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-oxo-3-pyridin-2-yl-1,3,2λ5-oxazaphospholidin-2-yl)oxymethyl]oxolan-3-yl] acetate?

[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-oxo-3-pyridin-2-yl-1,3,2λ5-oxazaphospholidin-2-yl)oxymethyl]oxolan-3-yl] acetate has a molecular weight of 466.39 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-oxo-3-pyridin-2-yl-1,3,2λ5-oxazaphospholidin-2-yl)oxymethyl]oxolan-3-yl] acetate is sourced from PubChem (CID 71484268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).