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

C19H35N2O11P2+ — CID 170607037

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

ethane;hydroxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium;methanol (PubChem CID 170607037) has the molecular formula C19H35N2O11P2+ and a molecular weight of 529.44 g/mol. Its IUPAC name is ethane;hydroxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium;methanol.

Molecular Properties

• Compound Name: ethane;hydroxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium;methanol
• PubChem CID: 170607037
• Molecular Formula: C19H35N2O11P2+
• Molecular Weight: 529.44 g/mol
• Exact Mass: 529.17
• IUPAC Name: ethane;hydroxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium;methanol
• SMILES: CC.CO.COCCOC1C(OP(C)(=O)O)C(C2CC2[P+](=O)O)OC1n1cc(C)c(=O)[nH]c1=O
• InChI: InChI=1S/C16H24N2O10P2.C2H6.CH4O/c1-8-7-18(16(20)17-14(8)19)15-13(26-5-4-25-2)12(28-30(3,23)24)11(27-15)9-6-10(9)29(21)22;2*1-2/h7,9-13,15H,4-6H2,1-3H3,(H2-,17,19,20,21,22,23,24);1-2H3;2H,1H3/p+1
• InChIKey: HATRFQGIYQLSIE-UHFFFAOYSA-O
• XLogP: 0.73
• TPSA: 186.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.44
LogP ≤ 5	0.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of ethane;hydroxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium;methanol (CID 170607037) is ethane;hydroxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium;methanol.

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

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

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

The InChIKey is HATRFQGIYQLSIE-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24N2O10P2.C2H6.CH4O/c1-8-7-18(16(20)17-14(8)19)15-13(26-5-4-25-2)12(28-30(3,23)24)11(27-15)9-6-10(9)29(21)22;2*1-2/h7,9-13,15H,4-6H2,1-3H3,(H2-,17,19,20,21,22,23,24);1-2H3;2H,1H3/p+1.

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

ethane;hydroxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium;methanol has a molecular weight of 529.44 g/mol, XLogP of 0.73, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;hydroxy-[2-[3-[hydroxy(methyl)phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]cyclopropyl]-oxophosphanium;methanol is sourced from PubChem (CID 170607037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).