2,4-dihydroxy-2-oxo-1,2λ5-oxaphospholane-3-carboxylic acid

Name: 2,4-dihydroxy-2-oxo-1,2λ5-oxaphospholane-3-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₄H₇O₆P — CID 151519448

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2,4-dihydroxy-2-oxo-1,2λ5-oxaphospholane-3-carboxylic acid

SMILESO=C(O)C1C(O)COP1(=O)O

InChIInChI=1S/C4H7O6P/c5-2-1-10-11(8,9)3(2)4(6)7/h2-3,5H,1H2,(H,6,7)(H,8,9)

InChIKeyPUDZWXPKLIXQKQ-UHFFFAOYSA-N

MW182.07 g/mol

LogP-0.98

Rot. Bonds1

About 2,4-dihydroxy-2-oxo-1,2λ5-oxaphospholane-3-carboxylic acid

2,4-dihydroxy-2-oxo-1,2λ5-oxaphospholane-3-carboxylic acid (PubChem CID 151519448) has the molecular formula C₄H₇O₆P and a molecular weight of 182.07 g/mol. Its IUPAC name is 2,4-dihydroxy-2-oxo-1,2λ5-oxaphospholane-3-carboxylic acid.

Molecular Properties

Compound Name	2,4-dihydroxy-2-oxo-1,2λ5-oxaphospholane-3-carboxylic acid
PubChem CID	151519448
Molecular Formula	C₄H₇O₆P
Molecular Weight	182.07 g/mol
Exact Mass	182.00
IUPAC Name	2,4-dihydroxy-2-oxo-1,2λ5-oxaphospholane-3-carboxylic acid
SMILES	O=C(O)C1C(O)COP1(=O)O
InChI	InChI=1S/C4H7O6P/c5-2-1-10-11(8,9)3(2)4(6)7/h2-3,5H,1H2,(H,6,7)(H,8,9)
InChIKey	PUDZWXPKLIXQKQ-UHFFFAOYSA-N
XLogP	-0.98
TPSA	104.06 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	1
Heavy Atoms	11
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	182.07
LogP ≤ 5	-0.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-2-oxo-1,2λ5-oxaphospholane-3-carboxylic acid?

The IUPAC name of 2,4-dihydroxy-2-oxo-1,2λ5-oxaphospholane-3-carboxylic acid (CID 151519448) is 2,4-dihydroxy-2-oxo-1,2λ5-oxaphospholane-3-carboxylic acid.

What is the SMILES notation for 2,4-dihydroxy-2-oxo-1,2λ5-oxaphospholane-3-carboxylic acid?

The canonical SMILES for 2,4-dihydroxy-2-oxo-1,2λ5-oxaphospholane-3-carboxylic acid is O=C(O)C1C(O)COP1(=O)O.

What is the InChIKey of 2,4-dihydroxy-2-oxo-1,2λ5-oxaphospholane-3-carboxylic acid?

The InChIKey is PUDZWXPKLIXQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O6P/c5-2-1-10-11(8,9)3(2)4(6)7/h2-3,5H,1H2,(H,6,7)(H,8,9).

What are the key properties of 2,4-dihydroxy-2-oxo-1,2λ5-oxaphospholane-3-carboxylic acid?

2,4-dihydroxy-2-oxo-1,2λ5-oxaphospholane-3-carboxylic acid has a molecular weight of 182.07 g/mol, XLogP of -0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dihydroxy-2-oxo-1,2λ5-oxaphospholane-3-carboxylic acid is sourced from PubChem (CID 151519448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 151519448 — identifiers, structure, computed properties (public domain)

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