(2R,4R)-4-hydroxyoxolane-2-carboxylic acid

C5H8O4 — CID 13314189

IUPAC(2R,4R)-4-hydroxyoxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CO1
InChIInChI=1S/C5H8O4/c6-3-1-4(5(7)8)9-2-3/h3-4,6H,1-2H2,(H,7,8)/t3-,4-/m1/s1
InChIKeyKTEPYJGLVNSCFD-QWWZWVQMSA-N
MW132.11 g/mol
LogP-0.78
Rot. Bonds1

About (2R,4R)-4-hydroxyoxolane-2-carboxylic acid

(2R,4R)-4-hydroxyoxolane-2-carboxylic acid (PubChem CID 13314189) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is (2R,4R)-4-hydroxyoxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxyoxolane-2-carboxylic acid
PubChem CID13314189
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name(2R,4R)-4-hydroxyoxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CO1
InChIInChI=1S/C5H8O4/c6-3-1-4(5(7)8)9-2-3/h3-4,6H,1-2H2,(H,7,8)/t3-,4-/m1/s1
InChIKeyKTEPYJGLVNSCFD-QWWZWVQMSA-N
XLogP-0.78
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-hydroxyoxolane-2-carboxamide
CID 91612215
(2S,4S)-4-methyloxolane-2-carboxylic acid
CID 140739346
CID 158871362
CID 158871362
(4R)-4-hydroxy-5-sulfooxane-2-carboxylic acid
CID 90132358
dipotassium;oxirane-2-carboxylic acid;dihydroxide
CID 174960947
[(4S)-6-carboxy-4-hydroxyoxan-3-yl] sulfate
CID 59011103
(2S,4R)-4-methoxycarbonyloxolane-2-carboxylic acid
CID 99996303
3,3a,4,6,7,7a-hexahydro-2H-pyrano[3,4-d][1,3]oxazole-6-carboxylic acid
CID 175984753
(2R)-oxirane-2-carbonyl chloride
CID 89298336
(4S)-oxolane-2,4-diol
CID 16655459
(3R,5R)-5-hydroxyoxane-3-carboxylic acid
CID 68653499
(3S,5S)-5-hydroxyoxane-3-carboxylic acid
CID 68653500

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxyoxolane-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxyoxolane-2-carboxylic acid (CID 13314189) is (2R,4R)-4-hydroxyoxolane-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxyoxolane-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxyoxolane-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CO1.
What is the InChIKey of (2R,4R)-4-hydroxyoxolane-2-carboxylic acid?
The InChIKey is KTEPYJGLVNSCFD-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H8O4/c6-3-1-4(5(7)8)9-2-3/h3-4,6H,1-2H2,(H,7,8)/t3-,4-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxyoxolane-2-carboxylic acid?
(2R,4R)-4-hydroxyoxolane-2-carboxylic acid has a molecular weight of 132.11 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxyoxolane-2-carboxylic acid is sourced from PubChem (CID 13314189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).