(2S)-2-hydroxy-2H-furan-5-one

C4H4O3 — CID 11073352

IUPAC(2S)-2-hydroxy-2H-furan-5-one
SMILESO=C1C=C[C@@H](O)O1
InChIInChI=1S/C4H4O3/c5-3-1-2-4(6)7-3/h1-3,5H/t3-/m0/s1
InChIKeyDUAZKLYNTLDKQK-VKHMYHEASA-N
MW100.07 g/mol
LogP-0.58
Rot. Bonds

About (2S)-2-hydroxy-2H-furan-5-one

(2S)-2-hydroxy-2H-furan-5-one (PubChem CID 11073352) has the molecular formula C4H4O3 and a molecular weight of 100.07 g/mol. Its IUPAC name is (2S)-2-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-2H-furan-5-one
PubChem CID11073352
Molecular FormulaC4H4O3
Molecular Weight100.07 g/mol
Exact Mass100.02
IUPAC Name(2S)-2-hydroxy-2H-furan-5-one
SMILESO=C1C=C[C@@H](O)O1
InChIInChI=1S/C4H4O3/c5-3-1-2-4(6)7-3/h1-3,5H/t3-/m0/s1
InChIKeyDUAZKLYNTLDKQK-VKHMYHEASA-N
XLogP-0.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.07
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2H-furan-5-one?
The IUPAC name of (2S)-2-hydroxy-2H-furan-5-one (CID 11073352) is (2S)-2-hydroxy-2H-furan-5-one.
What is the SMILES notation for (2S)-2-hydroxy-2H-furan-5-one?
The canonical SMILES for (2S)-2-hydroxy-2H-furan-5-one is O=C1C=C[C@@H](O)O1.
What is the InChIKey of (2S)-2-hydroxy-2H-furan-5-one?
The InChIKey is DUAZKLYNTLDKQK-VKHMYHEASA-N. The full InChI is InChI=1S/C4H4O3/c5-3-1-2-4(6)7-3/h1-3,5H/t3-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2H-furan-5-one?
(2S)-2-hydroxy-2H-furan-5-one has a molecular weight of 100.07 g/mol, XLogP of -0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2H-furan-5-one is sourced from PubChem (CID 11073352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).