azanium;1-[(5-dimethylphosphoryloxolan-2-yl)methyl]-5-methylpyrimidine-2,4-dione;hydroxy-[5-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]oxolan-2-yl]phosphinate

C22H37N5O10P2 — CID 161478399

About azanium;1-[(5-dimethylphosphoryloxolan-2-yl)methyl]-5-methylpyrimidine-2,4-dione;hydroxy-[5-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]oxolan-2-yl]phosphinate

azanium;1-[(5-dimethylphosphoryloxolan-2-yl)methyl]-5-methylpyrimidine-2,4-dione;hydroxy-[5-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]oxolan-2-yl]phosphinate (PubChem CID 161478399) has the molecular formula C22H37N5O10P2 and a molecular weight of 593.51 g/mol. Its IUPAC name is azanium;1-[(5-dimethylphosphoryloxolan-2-yl)methyl]-5-methylpyrimidine-2,4-dione;hydroxy-[5-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]oxolan-2-yl]phosphinate.

Molecular Properties

• Compound Name: azanium;1-[(5-dimethylphosphoryloxolan-2-yl)methyl]-5-methylpyrimidine-2,4-dione;hydroxy-[5-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]oxolan-2-yl]phosphinate
• PubChem CID: 161478399
• Molecular Formula: C22H37N5O10P2
• Molecular Weight: 593.51 g/mol
• Exact Mass: 593.20
• IUPAC Name: azanium;1-[(5-dimethylphosphoryloxolan-2-yl)methyl]-5-methylpyrimidine-2,4-dione;hydroxy-[5-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]oxolan-2-yl]phosphinate
• SMILES: Cc1cn(CC2CCC(P(=O)([O-])O)O2)c(=O)[nH]c1=O.Cc1cn(CC2CCC(P(C)(C)=O)O2)c(=O)[nH]c1=O.[NH4+]
• InChI: InChI=1S/C12H19N2O4P.C10H15N2O6P.H3N/c1-8-6-14(12(16)13-11(8)15)7-9-4-5-10(18-9)19(2,3)17;1-6-4-12(10(14)11-9(6)13)5-7-2-3-8(18-7)19(15,16)17;/h6,9-10H,4-5,7H2,1-3H3,(H,13,15,16);4,7-8H,2-3,5H2,1H3,(H,11,13,14)(H2,15,16,17);1H3
• InChIKey: RMRALAYOWUKWAH-UHFFFAOYSA-N
• XLogP: 0.24
• TPSA: 242.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.51
LogP ≤ 5	0.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azanium;1-[(5-dimethylphosphoryloxolan-2-yl)methyl]-5-methylpyrimidine-2,4-dione;hydroxy-[5-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]oxolan-2-yl]phosphinate?

The IUPAC name of azanium;1-[(5-dimethylphosphoryloxolan-2-yl)methyl]-5-methylpyrimidine-2,4-dione;hydroxy-[5-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]oxolan-2-yl]phosphinate (CID 161478399) is azanium;1-[(5-dimethylphosphoryloxolan-2-yl)methyl]-5-methylpyrimidine-2,4-dione;hydroxy-[5-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]oxolan-2-yl]phosphinate.

What is the SMILES notation for azanium;1-[(5-dimethylphosphoryloxolan-2-yl)methyl]-5-methylpyrimidine-2,4-dione;hydroxy-[5-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]oxolan-2-yl]phosphinate?

The canonical SMILES for azanium;1-[(5-dimethylphosphoryloxolan-2-yl)methyl]-5-methylpyrimidine-2,4-dione;hydroxy-[5-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]oxolan-2-yl]phosphinate is Cc1cn(CC2CCC(P(=O)([O-])O)O2)c(=O)[nH]c1=O.Cc1cn(CC2CCC(P(C)(C)=O)O2)c(=O)[nH]c1=O.[NH4+].

What is the InChIKey of azanium;1-[(5-dimethylphosphoryloxolan-2-yl)methyl]-5-methylpyrimidine-2,4-dione;hydroxy-[5-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]oxolan-2-yl]phosphinate?

The InChIKey is RMRALAYOWUKWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N2O4P.C10H15N2O6P.H3N/c1-8-6-14(12(16)13-11(8)15)7-9-4-5-10(18-9)19(2,3)17;1-6-4-12(10(14)11-9(6)13)5-7-2-3-8(18-7)19(15,16)17;/h6,9-10H,4-5,7H2,1-3H3,(H,13,15,16);4,7-8H,2-3,5H2,1H3,(H,11,13,14)(H2,15,16,17);1H3.

What are the key properties of azanium;1-[(5-dimethylphosphoryloxolan-2-yl)methyl]-5-methylpyrimidine-2,4-dione;hydroxy-[5-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]oxolan-2-yl]phosphinate?

azanium;1-[(5-dimethylphosphoryloxolan-2-yl)methyl]-5-methylpyrimidine-2,4-dione;hydroxy-[5-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]oxolan-2-yl]phosphinate has a molecular weight of 593.51 g/mol, XLogP of 0.24, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for azanium;1-[(5-dimethylphosphoryloxolan-2-yl)methyl]-5-methylpyrimidine-2,4-dione;hydroxy-[5-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]oxolan-2-yl]phosphinate is sourced from PubChem (CID 161478399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).