(2S,4S)-2,4-dihydroxyoxolane-2-carboxylic acid

C5H8O5 — CID 130948843

IUPAC(2S,4S)-2,4-dihydroxyoxolane-2-carboxylic acid
SMILESO=C(O)[C@]1(O)C[C@H](O)CO1
InChIInChI=1S/C5H8O5/c6-3-1-5(9,4(7)8)10-2-3/h3,6,9H,1-2H2,(H,7,8)/t3-,5-/m0/s1
InChIKeyDONPUMGGARYEMQ-UCORVYFPSA-N
MW148.11 g/mol
LogP-1.46
Rot. Bonds1

About (2S,4S)-2,4-dihydroxyoxolane-2-carboxylic acid

(2S,4S)-2,4-dihydroxyoxolane-2-carboxylic acid (PubChem CID 130948843) has the molecular formula C5H8O5 and a molecular weight of 148.11 g/mol. Its IUPAC name is (2S,4S)-2,4-dihydroxyoxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-2,4-dihydroxyoxolane-2-carboxylic acid
PubChem CID130948843
Molecular FormulaC5H8O5
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name(2S,4S)-2,4-dihydroxyoxolane-2-carboxylic acid
SMILESO=C(O)[C@]1(O)C[C@H](O)CO1
InChIInChI=1S/C5H8O5/c6-3-1-5(9,4(7)8)10-2-3/h3,6,9H,1-2H2,(H,7,8)/t3-,5-/m0/s1
InChIKeyDONPUMGGARYEMQ-UCORVYFPSA-N
XLogP-1.46
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2,4-dihydroxyoxolane-2-carboxylic acid?
The IUPAC name of (2S,4S)-2,4-dihydroxyoxolane-2-carboxylic acid (CID 130948843) is (2S,4S)-2,4-dihydroxyoxolane-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-2,4-dihydroxyoxolane-2-carboxylic acid?
The canonical SMILES for (2S,4S)-2,4-dihydroxyoxolane-2-carboxylic acid is O=C(O)[C@]1(O)C[C@H](O)CO1.
What is the InChIKey of (2S,4S)-2,4-dihydroxyoxolane-2-carboxylic acid?
The InChIKey is DONPUMGGARYEMQ-UCORVYFPSA-N. The full InChI is InChI=1S/C5H8O5/c6-3-1-5(9,4(7)8)10-2-3/h3,6,9H,1-2H2,(H,7,8)/t3-,5-/m0/s1.
What are the key properties of (2S,4S)-2,4-dihydroxyoxolane-2-carboxylic acid?
(2S,4S)-2,4-dihydroxyoxolane-2-carboxylic acid has a molecular weight of 148.11 g/mol, XLogP of -1.46, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2,4-dihydroxyoxolane-2-carboxylic acid is sourced from PubChem (CID 130948843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).