(2S,3S,4R)-3,4,5-trihydroxyoxolane-2-carboxylic acid

C5H8O6 — CID 11412568

IUPAC(2S,3S,4R)-3,4,5-trihydroxyoxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1OC(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H8O6/c6-1-2(7)5(10)11-3(1)4(8)9/h1-3,5-7,10H,(H,8,9)/t1-,2+,3-,5?/m0/s1
InChIKeyQPIYPWGWBLCOPY-VLIATHEQSA-N
MW164.11 g/mol
LogP-2.49
Rot. Bonds1

About (2S,3S,4R)-3,4,5-trihydroxyoxolane-2-carboxylic acid

(2S,3S,4R)-3,4,5-trihydroxyoxolane-2-carboxylic acid (PubChem CID 11412568) has the molecular formula C5H8O6 and a molecular weight of 164.11 g/mol. Its IUPAC name is (2S,3S,4R)-3,4,5-trihydroxyoxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,4R)-3,4,5-trihydroxyoxolane-2-carboxylic acid
PubChem CID11412568
Molecular FormulaC5H8O6
Molecular Weight164.11 g/mol
Exact Mass164.03
IUPAC Name(2S,3S,4R)-3,4,5-trihydroxyoxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1OC(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H8O6/c6-1-2(7)5(10)11-3(1)4(8)9/h1-3,5-7,10H,(H,8,9)/t1-,2+,3-,5?/m0/s1
InChIKeyQPIYPWGWBLCOPY-VLIATHEQSA-N
XLogP-2.49
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.11
LogP ≤ 5-2.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-3,4,5-trihydroxyoxolane-2-carboxylic acid?
The IUPAC name of (2S,3S,4R)-3,4,5-trihydroxyoxolane-2-carboxylic acid (CID 11412568) is (2S,3S,4R)-3,4,5-trihydroxyoxolane-2-carboxylic acid.
What is the SMILES notation for (2S,3S,4R)-3,4,5-trihydroxyoxolane-2-carboxylic acid?
The canonical SMILES for (2S,3S,4R)-3,4,5-trihydroxyoxolane-2-carboxylic acid is O=C(O)[C@H]1OC(O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R)-3,4,5-trihydroxyoxolane-2-carboxylic acid?
The InChIKey is QPIYPWGWBLCOPY-VLIATHEQSA-N. The full InChI is InChI=1S/C5H8O6/c6-1-2(7)5(10)11-3(1)4(8)9/h1-3,5-7,10H,(H,8,9)/t1-,2+,3-,5?/m0/s1.
What are the key properties of (2S,3S,4R)-3,4,5-trihydroxyoxolane-2-carboxylic acid?
(2S,3S,4R)-3,4,5-trihydroxyoxolane-2-carboxylic acid has a molecular weight of 164.11 g/mol, XLogP of -2.49, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-3,4,5-trihydroxyoxolane-2-carboxylic acid is sourced from PubChem (CID 11412568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).