hydroperoxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium

C16H25N2O11P2+ — CID 166464841

About hydroperoxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium

hydroperoxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium (PubChem CID 166464841) has the molecular formula C16H25N2O11P2+ and a molecular weight of 483.33 g/mol. Its IUPAC name is hydroperoxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium.

Molecular Properties

• Compound Name: hydroperoxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium
• PubChem CID: 166464841
• Molecular Formula: C16H25N2O11P2+
• Molecular Weight: 483.33 g/mol
• Exact Mass: 483.09
• IUPAC Name: hydroperoxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium
• SMILES: COCCOC1C(OP(C)(=O)O)C(C2CC2[P+](=O)OO)OC1n1cc(C)c(=O)[nH]c1=O
• InChI: InChI=1S/C16H24N2O11P2/c1-8-7-18(16(20)17-14(8)19)15-13(26-5-4-25-2)12(28-31(3,23)24)11(27-15)9-6-10(9)30(22)29-21/h7,9-13,15H,4-6H2,1-3H3,(H2-,17,19,20,21,23,24)/p+1
• InChIKey: FNBAERVLCHMYOE-UHFFFAOYSA-O
• XLogP: 0.59
• TPSA: 175.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.33
LogP ≤ 5	0.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of hydroperoxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium?

The IUPAC name of hydroperoxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium (CID 166464841) is hydroperoxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium.

What is the SMILES notation for hydroperoxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium?

The canonical SMILES for hydroperoxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium is COCCOC1C(OP(C)(=O)O)C(C2CC2[P+](=O)OO)OC1n1cc(C)c(=O)[nH]c1=O.

What is the InChIKey of hydroperoxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium?

The InChIKey is FNBAERVLCHMYOE-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24N2O11P2/c1-8-7-18(16(20)17-14(8)19)15-13(26-5-4-25-2)12(28-31(3,23)24)11(27-15)9-6-10(9)30(22)29-21/h7,9-13,15H,4-6H2,1-3H3,(H2-,17,19,20,21,23,24)/p+1.

What are the key properties of hydroperoxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium?

hydroperoxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium has a molecular weight of 483.33 g/mol, XLogP of 0.59, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for hydroperoxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium is sourced from PubChem (CID 166464841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).