hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxophosphanium

C10H14N2O7P+ — CID 102099322

About hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxophosphanium

hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxophosphanium (PubChem CID 102099322) has the molecular formula C10H14N2O7P+ and a molecular weight of 305.20 g/mol. Its IUPAC name is hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxophosphanium.

Molecular Properties

• Compound Name: hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxophosphanium
• PubChem CID: 102099322
• Molecular Formula: C10H14N2O7P+
• Molecular Weight: 305.20 g/mol
• Exact Mass: 305.05
• IUPAC Name: hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxophosphanium
• SMILES: Cc1cn([C@H]2C[C@H](O[P+](=O)O)[C@@H](CO)O2)c(=O)[nH]c1=O
• InChI: InChI=1S/C10H13N2O7P/c1-5-3-12(10(15)11-9(5)14)8-2-6(19-20(16)17)7(4-13)18-8/h3,6-8,13H,2,4H2,1H3,(H-,11,14,15,16,17)/p+1/t6-,7+,8+/m0/s1
• InChIKey: WMWRQFGAOROZFM-XLPZGREQSA-O
• XLogP: -0.84
• TPSA: 130.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.20
LogP ≤ 5	-0.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxophosphanium?

The IUPAC name of hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxophosphanium (CID 102099322) is hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxophosphanium.

What is the SMILES notation for hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxophosphanium?

The canonical SMILES for hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxophosphanium is Cc1cn([C@H]2C[C@H](O[P+](=O)O)[C@@H](CO)O2)c(=O)[nH]c1=O.

What is the InChIKey of hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxophosphanium?

The InChIKey is WMWRQFGAOROZFM-XLPZGREQSA-O. The full InChI is InChI=1S/C10H13N2O7P/c1-5-3-12(10(15)11-9(5)14)8-2-6(19-20(16)17)7(4-13)18-8/h3,6-8,13H,2,4H2,1H3,(H-,11,14,15,16,17)/p+1/t6-,7+,8+/m0/s1.

What are the key properties of hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxophosphanium?

hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxophosphanium has a molecular weight of 305.20 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxophosphanium is sourced from PubChem (CID 102099322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).