1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid

C9H15N2O9P — CID 68506781

About 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid (PubChem CID 68506781) has the molecular formula C9H15N2O9P and a molecular weight of 326.20 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid.

Molecular Properties

• Compound Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid
• PubChem CID: 68506781
• Molecular Formula: C9H15N2O9P
• Molecular Weight: 326.20 g/mol
• Exact Mass: 326.05
• IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid
• SMILES: C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.O=P(O)(O)O
• InChI: InChI=1S/C9H12N2O5.H3O4P/c1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15;1-5(2,3)4/h2-4,6-8,13-14H,1H3,(H,10,12,15);(H3,1,2,3,4)/t4-,6-,7-,8-;/m1./s1
• InChIKey: SWZUUFUZLMPDOZ-IAIGYFSYSA-N
• XLogP: -2.75
• TPSA: 182.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 1
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	326.20
LogP ≤ 5	-2.75
H-Bond Donors ≤ 5	6
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 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid?

The IUPAC name of 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid (CID 68506781) is 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid.

What is the SMILES notation for 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid?

The canonical SMILES for 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid is C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.O=P(O)(O)O.

What is the InChIKey of 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid?

The InChIKey is SWZUUFUZLMPDOZ-IAIGYFSYSA-N. The full InChI is InChI=1S/C9H12N2O5.H3O4P/c1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15;1-5(2,3)4/h2-4,6-8,13-14H,1H3,(H,10,12,15);(H3,1,2,3,4)/t4-,6-,7-,8-;/m1./s1.

What are the key properties of 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid?

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid has a molecular weight of 326.20 g/mol, XLogP of -2.75, 1 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid is sourced from PubChem (CID 68506781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).