[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;oxolane;2,2,6,6-tetramethylpiperidine

C23H42N3O9P — CID 121439955

About [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;oxolane;2,2,6,6-tetramethylpiperidine

[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;oxolane;2,2,6,6-tetramethylpiperidine (PubChem CID 121439955) has the molecular formula C23H42N3O9P and a molecular weight of 535.58 g/mol. Its IUPAC name is [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;oxolane;2,2,6,6-tetramethylpiperidine.

Molecular Properties

• Compound Name: [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;oxolane;2,2,6,6-tetramethylpiperidine
• PubChem CID: 121439955
• Molecular Formula: C23H42N3O9P
• Molecular Weight: 535.58 g/mol
• Exact Mass: 535.27
• IUPAC Name: [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;oxolane;2,2,6,6-tetramethylpiperidine
• SMILES: C1CCOC1.CC1(C)CCCC(C)(C)N1.Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O
• InChI: InChI=1S/C10H15N2O8P.C9H19N.C4H8O/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18;1-8(2)6-5-7-9(3,4)10-8;1-2-4-5-3-1/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18);10H,5-7H2,1-4H3;1-4H2/t6-,7+,8+;;/m0../s1
• InChIKey: PZJSPWYYTJXKMQ-ZJWYQBPBSA-N
• XLogP: 1.72
• TPSA: 172.34 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.58
LogP ≤ 5	1.72
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 [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;oxolane;2,2,6,6-tetramethylpiperidine?

The IUPAC name of [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;oxolane;2,2,6,6-tetramethylpiperidine (CID 121439955) is [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;oxolane;2,2,6,6-tetramethylpiperidine.

What is the SMILES notation for [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;oxolane;2,2,6,6-tetramethylpiperidine?

The canonical SMILES for [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;oxolane;2,2,6,6-tetramethylpiperidine is C1CCOC1.CC1(C)CCCC(C)(C)N1.Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O.

What is the InChIKey of [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;oxolane;2,2,6,6-tetramethylpiperidine?

The InChIKey is PZJSPWYYTJXKMQ-ZJWYQBPBSA-N. The full InChI is InChI=1S/C10H15N2O8P.C9H19N.C4H8O/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18;1-8(2)6-5-7-9(3,4)10-8;1-2-4-5-3-1/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18);10H,5-7H2,1-4H3;1-4H2/t6-,7+,8+;;/m0../s1.

What are the key properties of [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;oxolane;2,2,6,6-tetramethylpiperidine?

[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;oxolane;2,2,6,6-tetramethylpiperidine has a molecular weight of 535.58 g/mol, XLogP of 1.72, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;oxolane;2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 121439955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).