(2R)-3,4-dihydroxyoxolane-2-carboxylic acid

C5H8O5 — CID 138535006

IUPAC(2R)-3,4-dihydroxyoxolane-2-carboxylic acid
SMILESO=C(O)[C@@H]1OCC(O)C1O
InChIInChI=1S/C5H8O5/c6-2-1-10-4(3(2)7)5(8)9/h2-4,6-7H,1H2,(H,8,9)/t2?,3?,4-/m1/s1
InChIKeyIQNBHHRDHLSAIV-RUVKFHFMSA-N
MW148.11 g/mol
LogP-1.81
Rot. Bonds1

About (2R)-3,4-dihydroxyoxolane-2-carboxylic acid

(2R)-3,4-dihydroxyoxolane-2-carboxylic acid (PubChem CID 138535006) has the molecular formula C5H8O5 and a molecular weight of 148.11 g/mol. Its IUPAC name is (2R)-3,4-dihydroxyoxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-3,4-dihydroxyoxolane-2-carboxylic acid
PubChem CID138535006
Molecular FormulaC5H8O5
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name(2R)-3,4-dihydroxyoxolane-2-carboxylic acid
SMILESO=C(O)[C@@H]1OCC(O)C1O
InChIInChI=1S/C5H8O5/c6-2-1-10-4(3(2)7)5(8)9/h2-4,6-7H,1H2,(H,8,9)/t2?,3?,4-/m1/s1
InChIKeyIQNBHHRDHLSAIV-RUVKFHFMSA-N
XLogP-1.81
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 ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4S,5R)-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 100924413
formic acid;3,4,5-trihydroxyoxane-2-carboxylic acid
CID 175998267
(2S,3S,4S,5S)-4,5-dihydroxy-3-methyloxane-2-carboxylic acid
CID 89099181
4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid
CID 58899199
(2S,3R,4S)-4-ethyl-3-hydroxyoxolane-2-carboxylic acid
CID 126611673
(2S,3S,4R,5S)-N,3,4,5-tetrahydroxyoxane-2-carboxamide
CID 173451491
N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
CID 18427373
methyl (2R,3S,4S,5R)-3,4,5-trihydroxyoxane-2-carboxylate
CID 100924414
(2S,3R,4R)-3,4,6-trihydroxyoxane-2-carboxylic acid
CID 59876873
(4R,6R)-3,4,6-trihydroxyoxane-2-carboxylic acid
CID 118088118
(2S,3S)-3-aminooxetane-2-carboxylic acid
CID 55273860
2-phenyl-1-[(2S,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]ethanone
CID 57066081

Frequently Asked Questions

What is the IUPAC name of (2R)-3,4-dihydroxyoxolane-2-carboxylic acid?
The IUPAC name of (2R)-3,4-dihydroxyoxolane-2-carboxylic acid (CID 138535006) is (2R)-3,4-dihydroxyoxolane-2-carboxylic acid.
What is the SMILES notation for (2R)-3,4-dihydroxyoxolane-2-carboxylic acid?
The canonical SMILES for (2R)-3,4-dihydroxyoxolane-2-carboxylic acid is O=C(O)[C@@H]1OCC(O)C1O.
What is the InChIKey of (2R)-3,4-dihydroxyoxolane-2-carboxylic acid?
The InChIKey is IQNBHHRDHLSAIV-RUVKFHFMSA-N. The full InChI is InChI=1S/C5H8O5/c6-2-1-10-4(3(2)7)5(8)9/h2-4,6-7H,1H2,(H,8,9)/t2?,3?,4-/m1/s1.
What are the key properties of (2R)-3,4-dihydroxyoxolane-2-carboxylic acid?
(2R)-3,4-dihydroxyoxolane-2-carboxylic acid has a molecular weight of 148.11 g/mol, XLogP of -1.81, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,4-dihydroxyoxolane-2-carboxylic acid is sourced from PubChem (CID 138535006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).