[(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol

C₄H₈FO₄P — CID 58881743

About [(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol

[(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol (PubChem CID 58881743) has the molecular formula C₄H₈FO₄P and a molecular weight of 170.08 g/mol. Its IUPAC name is [(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol.

Molecular Properties

• Compound Name: [(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol
• PubChem CID: 58881743
• Molecular Formula: C₄H₈FO₄P
• Molecular Weight: 170.08 g/mol
• Exact Mass: 170.01
• IUPAC Name: [(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol
• SMILES: O=P1(O)O[C@H](CO)CC1F
• InChI: InChI=1S/C4H8FO4P/c5-4-1-3(2-6)9-10(4,7)8/h3-4,6H,1-2H2,(H,7,8)/t3-,4?/m0/s1
• InChIKey: NLSXCNDBGYUJFL-WUCPZUCCSA-N
• XLogP: 0.25
• TPSA: 66.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	170.08
LogP ≤ 5	0.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol?

The IUPAC name of [(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol (CID 58881743) is [(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol.

What is the SMILES notation for [(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol?

The canonical SMILES for [(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol is O=P1(O)O[C@H](CO)CC1F.

What is the InChIKey of [(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol?

The InChIKey is NLSXCNDBGYUJFL-WUCPZUCCSA-N. The full InChI is InChI=1S/C4H8FO4P/c5-4-1-3(2-6)9-10(4,7)8/h3-4,6H,1-2H2,(H,7,8)/t3-,4?/m0/s1.

What are the key properties of [(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol?

[(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol has a molecular weight of 170.08 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol is sourced from PubChem (CID 58881743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58881743 — identifiers, structure, computed properties (public domain)

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