(2S,5R)-oxolane-2,5-diol

C4H8O3 — CID 58645453

IUPAC(2S,5R)-oxolane-2,5-diol
SMILESO[C@@H]1CC[C@H](O)O1
InChIInChI=1S/C4H8O3/c5-3-1-2-4(6)7-3/h3-6H,1-2H2/t3-,4+
InChIKeyXCWZSWBOSVVZGV-ZXZARUISSA-N
MW104.10 g/mol
LogP-0.57
Rot. Bonds

About (2S,5R)-oxolane-2,5-diol

(2S,5R)-oxolane-2,5-diol (PubChem CID 58645453) has the molecular formula C4H8O3 and a molecular weight of 104.10 g/mol. Its IUPAC name is (2S,5R)-oxolane-2,5-diol.

Molecular Properties

Compound Name(2S,5R)-oxolane-2,5-diol
PubChem CID58645453
Molecular FormulaC4H8O3
Molecular Weight104.10 g/mol
Exact Mass104.05
IUPAC Name(2S,5R)-oxolane-2,5-diol
SMILESO[C@@H]1CC[C@H](O)O1
InChIInChI=1S/C4H8O3/c5-3-1-2-4(6)7-3/h3-6H,1-2H2/t3-,4+
InChIKeyXCWZSWBOSVVZGV-ZXZARUISSA-N
XLogP-0.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.10
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-oxolane-2,5-diol?
The IUPAC name of (2S,5R)-oxolane-2,5-diol (CID 58645453) is (2S,5R)-oxolane-2,5-diol.
What is the SMILES notation for (2S,5R)-oxolane-2,5-diol?
The canonical SMILES for (2S,5R)-oxolane-2,5-diol is O[C@@H]1CC[C@H](O)O1.
What is the InChIKey of (2S,5R)-oxolane-2,5-diol?
The InChIKey is XCWZSWBOSVVZGV-ZXZARUISSA-N. The full InChI is InChI=1S/C4H8O3/c5-3-1-2-4(6)7-3/h3-6H,1-2H2/t3-,4+.
What are the key properties of (2S,5R)-oxolane-2,5-diol?
(2S,5R)-oxolane-2,5-diol has a molecular weight of 104.10 g/mol, XLogP of -0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-oxolane-2,5-diol is sourced from PubChem (CID 58645453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).