(2S)-4-methyl-2H-furan-2,5,5-triol

C5H8O4 — CID 171905191

IUPAC(2S)-4-methyl-2H-furan-2,5,5-triol
SMILESCC1=C[C@@H](O)OC1(O)O
InChIInChI=1S/C5H8O4/c1-3-2-4(6)9-5(3,7)8/h2,4,6-8H,1H3/t4-/m0/s1
InChIKeyLLUUWTRQRKRELF-BYPYZUCNSA-N
MW132.11 g/mol
LogP-1.08
Rot. Bonds

About (2S)-4-methyl-2H-furan-2,5,5-triol

(2S)-4-methyl-2H-furan-2,5,5-triol (PubChem CID 171905191) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is (2S)-4-methyl-2H-furan-2,5,5-triol.

Molecular Properties

Compound Name(2S)-4-methyl-2H-furan-2,5,5-triol
PubChem CID171905191
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name(2S)-4-methyl-2H-furan-2,5,5-triol
SMILESCC1=C[C@@H](O)OC1(O)O
InChIInChI=1S/C5H8O4/c1-3-2-4(6)9-5(3,7)8/h2,4,6-8H,1H3/t4-/m0/s1
InChIKeyLLUUWTRQRKRELF-BYPYZUCNSA-N
XLogP-1.08
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2H-furan-2,5,5-triol?
The IUPAC name of (2S)-4-methyl-2H-furan-2,5,5-triol (CID 171905191) is (2S)-4-methyl-2H-furan-2,5,5-triol.
What is the SMILES notation for (2S)-4-methyl-2H-furan-2,5,5-triol?
The canonical SMILES for (2S)-4-methyl-2H-furan-2,5,5-triol is CC1=C[C@@H](O)OC1(O)O.
What is the InChIKey of (2S)-4-methyl-2H-furan-2,5,5-triol?
The InChIKey is LLUUWTRQRKRELF-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8O4/c1-3-2-4(6)9-5(3,7)8/h2,4,6-8H,1H3/t4-/m0/s1.
What are the key properties of (2S)-4-methyl-2H-furan-2,5,5-triol?
(2S)-4-methyl-2H-furan-2,5,5-triol has a molecular weight of 132.11 g/mol, XLogP of -1.08, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2H-furan-2,5,5-triol is sourced from PubChem (CID 171905191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).