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

C4H7O6P — CID 151519448

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 Name2,4-dihydroxy-2-oxo-1,2λ5-oxaphospholane-3-carboxylic acid
PubChem CID151519448
Molecular FormulaC4H7O6P
Molecular Weight182.07 g/mol
Exact Mass182.00
IUPAC Name2,4-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
XLogP-0.98
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.07
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S,5R)-2-hydroxy-2-oxo-1,2lambda5-oxaphosphinane-3,4,5-triol
CID 10535473
(4R)-3-hydroxyoxane-4-carboxylic acid
CID 156677456
2,5-dihydroxy-2,5-dioxo-1,2λ5,5λ5-oxadiphospholan-3-ol
CID 152624671
(2R,3S,4S,5R)-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 100924413
(2R)-3,4-dihydroxyoxolane-2-carboxylic acid
CID 138535006
(6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol
CID 44582844
(3S,5S)-2-hydroxy-3-methyl-2-oxo-1,2λ5-oxaphosphinan-5-amine
CID 101188020
(3R)-oxane-3-carboxylic acid
CID 42554318
(3R,3aR,6S,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-carboxylic acid
CID 78427034
(5R)-3,12-dihydroxy-3,12-dioxo-2,4,11,13-tetraoxa-3λ5,12λ5-diphosphatricyclo[12.5.0.05,10]nonadecane-6,7,8,9,15,16,17,19-octol
CID 143685478
CID 158871362
CID 158871362
(3S,4R)-oxolane-3,4-dicarboxylic acid
CID 45084963

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).