[3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphite

C10H15N2O8P — CID 138665416

About [3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphite

[3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphite (PubChem CID 138665416) has the molecular formula C10H15N2O8P and a molecular weight of 322.21 g/mol. Its IUPAC name is [3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphite.

Molecular Properties

• Compound Name: [3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphite
• PubChem CID: 138665416
• Molecular Formula: C10H15N2O8P
• Molecular Weight: 322.21 g/mol
• Exact Mass: 322.06
• IUPAC Name: [3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphite
• SMILES: Cn1cc(C2OC(COP(O)O)C(O)C2O)c(=O)[nH]c1=O
• InChI: InChI=1S/C10H15N2O8P/c1-12-2-4(9(15)11-10(12)16)8-7(14)6(13)5(20-8)3-19-21(17)18/h2,5-8,13-14,17-18H,3H2,1H3,(H,11,15,16)
• InChIKey: YANVFGPBIRTGIP-UHFFFAOYSA-N
• XLogP: -2.54
• TPSA: 154.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.21
LogP ≤ 5	-2.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphite?

The IUPAC name of [3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphite (CID 138665416) is [3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphite.

What is the SMILES notation for [3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphite?

The canonical SMILES for [3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphite is Cn1cc(C2OC(COP(O)O)C(O)C2O)c(=O)[nH]c1=O.

What is the InChIKey of [3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphite?

The InChIKey is YANVFGPBIRTGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2O8P/c1-12-2-4(9(15)11-10(12)16)8-7(14)6(13)5(20-8)3-19-21(17)18/h2,5-8,13-14,17-18H,3H2,1H3,(H,11,15,16).

What are the key properties of [3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphite?

[3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphite has a molecular weight of 322.21 g/mol, XLogP of -2.54, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphite is sourced from PubChem (CID 138665416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).