[(2R,3R,4R,5R)-2-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-3-yl] dihydrogen phosphate

C15H23N2O13P — CID 171421223

About [(2R,3R,4R,5R)-2-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-3-yl] dihydrogen phosphate

[(2R,3R,4R,5R)-2-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-3-yl] dihydrogen phosphate (PubChem CID 171421223) has the molecular formula C15H23N2O13P and a molecular weight of 470.32 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-2-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-3-yl] dihydrogen phosphate.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-2-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-3-yl] dihydrogen phosphate
• PubChem CID: 171421223
• Molecular Formula: C15H23N2O13P
• Molecular Weight: 470.32 g/mol
• Exact Mass: 470.09
• IUPAC Name: [(2R,3R,4R,5R)-2-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-3-yl] dihydrogen phosphate
• SMILES: C[C@@]1(OP(=O)(O)O)[C@H](O)[C@@H](CO)O[C@@]1(C1O[C@H](CO)[C@H](O)[C@H]1O)n1ccc(=O)[nH]c1=O
• InChI: InChI=1S/C15H23N2O13P/c1-14(30-31(25,26)27)11(23)7(5-19)29-15(14,17-3-2-8(20)16-13(17)24)12-10(22)9(21)6(4-18)28-12/h2-3,6-7,9-12,18-19,21-23H,4-5H2,1H3,(H,16,20,24)(H2,25,26,27)/t6-,7-,9+,10-,11-,12?,14-,15-/m1/s1
• InChIKey: YJRHPVQWBMHWDS-GJUFJBBYSA-N
• XLogP: -4.71
• TPSA: 241.23 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	470.32
LogP ≤ 5	-4.71
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-2-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-3-yl] dihydrogen phosphate?

The IUPAC name of [(2R,3R,4R,5R)-2-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-3-yl] dihydrogen phosphate (CID 171421223) is [(2R,3R,4R,5R)-2-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-3-yl] dihydrogen phosphate.

What is the SMILES notation for [(2R,3R,4R,5R)-2-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-3-yl] dihydrogen phosphate?

The canonical SMILES for [(2R,3R,4R,5R)-2-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-3-yl] dihydrogen phosphate is C[C@@]1(OP(=O)(O)O)[C@H](O)[C@@H](CO)O[C@@]1(C1O[C@H](CO)[C@H](O)[C@H]1O)n1ccc(=O)[nH]c1=O.

What is the InChIKey of [(2R,3R,4R,5R)-2-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-3-yl] dihydrogen phosphate?

The InChIKey is YJRHPVQWBMHWDS-GJUFJBBYSA-N. The full InChI is InChI=1S/C15H23N2O13P/c1-14(30-31(25,26)27)11(23)7(5-19)29-15(14,17-3-2-8(20)16-13(17)24)12-10(22)9(21)6(4-18)28-12/h2-3,6-7,9-12,18-19,21-23H,4-5H2,1H3,(H,16,20,24)(H2,25,26,27)/t6-,7-,9+,10-,11-,12?,14-,15-/m1/s1.

What are the key properties of [(2R,3R,4R,5R)-2-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-3-yl] dihydrogen phosphate?

[(2R,3R,4R,5R)-2-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-3-yl] dihydrogen phosphate has a molecular weight of 470.32 g/mol, XLogP of -4.71, 6 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-2-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-3-yl] dihydrogen phosphate is sourced from PubChem (CID 171421223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).