5-[(2S,5R)-5-[(2,6-dihydroxy-2,4,6-trioxo-1,3,2λ5,4λ5,6λ5-dioxatriphosphinan-4-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one

C11H16NO12P3 — CID 129263646

About 5-[(2S,5R)-5-[(2,6-dihydroxy-2,4,6-trioxo-1,3,2λ5,4λ5,6λ5-dioxatriphosphinan-4-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one

5-[(2S,5R)-5-[(2,6-dihydroxy-2,4,6-trioxo-1,3,2λ5,4λ5,6λ5-dioxatriphosphinan-4-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one (PubChem CID 129263646) has the molecular formula C11H16NO12P3 and a molecular weight of 447.17 g/mol. Its IUPAC name is 5-[(2S,5R)-5-[(2,6-dihydroxy-2,4,6-trioxo-1,3,2λ5,4λ5,6λ5-dioxatriphosphinan-4-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 5-[(2S,5R)-5-[(2,6-dihydroxy-2,4,6-trioxo-1,3,2λ5,4λ5,6λ5-dioxatriphosphinan-4-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one
• PubChem CID: 129263646
• Molecular Formula: C11H16NO12P3
• Molecular Weight: 447.17 g/mol
• Exact Mass: 446.99
• IUPAC Name: 5-[(2S,5R)-5-[(2,6-dihydroxy-2,4,6-trioxo-1,3,2λ5,4λ5,6λ5-dioxatriphosphinan-4-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one
• SMILES: O=c1ccc([C@@H]2O[C@H](COP3(=O)CP(=O)(O)OP(=O)(O)O3)C(O)C2O)c[nH]1
• InChI: InChI=1S/C11H16NO12P3/c13-8-2-1-6(3-12-8)11-10(15)9(14)7(22-11)4-21-26(18)5-25(16,17)23-27(19,20)24-26/h1-3,7,9-11,14-15H,4-5H2,(H,12,13)(H,16,17)(H,19,20)/t7-,9?,10?,11+,26?/m1/s1
• InChIKey: IJGLWFPQYBYQPO-BGIVRSCFSA-N
• XLogP: 0.04
• TPSA: 201.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.17
LogP ≤ 5	0.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,5R)-5-[(2,6-dihydroxy-2,4,6-trioxo-1,3,2λ5,4λ5,6λ5-dioxatriphosphinan-4-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one?

The IUPAC name of 5-[(2S,5R)-5-[(2,6-dihydroxy-2,4,6-trioxo-1,3,2λ5,4λ5,6λ5-dioxatriphosphinan-4-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one (CID 129263646) is 5-[(2S,5R)-5-[(2,6-dihydroxy-2,4,6-trioxo-1,3,2λ5,4λ5,6λ5-dioxatriphosphinan-4-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one.

What is the SMILES notation for 5-[(2S,5R)-5-[(2,6-dihydroxy-2,4,6-trioxo-1,3,2λ5,4λ5,6λ5-dioxatriphosphinan-4-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one?

The canonical SMILES for 5-[(2S,5R)-5-[(2,6-dihydroxy-2,4,6-trioxo-1,3,2λ5,4λ5,6λ5-dioxatriphosphinan-4-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one is O=c1ccc([C@@H]2O[C@H](COP3(=O)CP(=O)(O)OP(=O)(O)O3)C(O)C2O)c[nH]1.

What is the InChIKey of 5-[(2S,5R)-5-[(2,6-dihydroxy-2,4,6-trioxo-1,3,2λ5,4λ5,6λ5-dioxatriphosphinan-4-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one?

The InChIKey is IJGLWFPQYBYQPO-BGIVRSCFSA-N. The full InChI is InChI=1S/C11H16NO12P3/c13-8-2-1-6(3-12-8)11-10(15)9(14)7(22-11)4-21-26(18)5-25(16,17)23-27(19,20)24-26/h1-3,7,9-11,14-15H,4-5H2,(H,12,13)(H,16,17)(H,19,20)/t7-,9?,10?,11+,26?/m1/s1.

What are the key properties of 5-[(2S,5R)-5-[(2,6-dihydroxy-2,4,6-trioxo-1,3,2λ5,4λ5,6λ5-dioxatriphosphinan-4-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one?

5-[(2S,5R)-5-[(2,6-dihydroxy-2,4,6-trioxo-1,3,2λ5,4λ5,6λ5-dioxatriphosphinan-4-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one has a molecular weight of 447.17 g/mol, XLogP of 0.04, 4 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S,5R)-5-[(2,6-dihydroxy-2,4,6-trioxo-1,3,2λ5,4λ5,6λ5-dioxatriphosphinan-4-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 129263646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).