(5S)-5-hydroxy-4-(hydroxymethyl)-3,5-dimethylfuran-2-one

C7H10O4 — CID 56954937

IUPAC(5S)-5-hydroxy-4-(hydroxymethyl)-3,5-dimethylfuran-2-one
SMILESCC1=C(CO)[C@@](C)(O)OC1=O
InChIInChI=1S/C7H10O4/c1-4-5(3-8)7(2,10)11-6(4)9/h8,10H,3H2,1-2H3/t7-/m0/s1
InChIKeyUHOIVZQYQYLZBG-ZETCQYMHSA-N
MW158.15 g/mol
LogP-0.44
Rot. Bonds1

About (5S)-5-hydroxy-4-(hydroxymethyl)-3,5-dimethylfuran-2-one

(5S)-5-hydroxy-4-(hydroxymethyl)-3,5-dimethylfuran-2-one (PubChem CID 56954937) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (5S)-5-hydroxy-4-(hydroxymethyl)-3,5-dimethylfuran-2-one.

Molecular Properties

Compound Name(5S)-5-hydroxy-4-(hydroxymethyl)-3,5-dimethylfuran-2-one
PubChem CID56954937
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(5S)-5-hydroxy-4-(hydroxymethyl)-3,5-dimethylfuran-2-one
SMILESCC1=C(CO)[C@@](C)(O)OC1=O
InChIInChI=1S/C7H10O4/c1-4-5(3-8)7(2,10)11-6(4)9/h8,10H,3H2,1-2H3/t7-/m0/s1
InChIKeyUHOIVZQYQYLZBG-ZETCQYMHSA-N
XLogP-0.44
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-hydroxy-4-(hydroxymethyl)-3,5-dimethylfuran-2-one?
The IUPAC name of (5S)-5-hydroxy-4-(hydroxymethyl)-3,5-dimethylfuran-2-one (CID 56954937) is (5S)-5-hydroxy-4-(hydroxymethyl)-3,5-dimethylfuran-2-one.
What is the SMILES notation for (5S)-5-hydroxy-4-(hydroxymethyl)-3,5-dimethylfuran-2-one?
The canonical SMILES for (5S)-5-hydroxy-4-(hydroxymethyl)-3,5-dimethylfuran-2-one is CC1=C(CO)[C@@](C)(O)OC1=O.
What is the InChIKey of (5S)-5-hydroxy-4-(hydroxymethyl)-3,5-dimethylfuran-2-one?
The InChIKey is UHOIVZQYQYLZBG-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10O4/c1-4-5(3-8)7(2,10)11-6(4)9/h8,10H,3H2,1-2H3/t7-/m0/s1.
What are the key properties of (5S)-5-hydroxy-4-(hydroxymethyl)-3,5-dimethylfuran-2-one?
(5S)-5-hydroxy-4-(hydroxymethyl)-3,5-dimethylfuran-2-one has a molecular weight of 158.15 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hydroxy-4-(hydroxymethyl)-3,5-dimethylfuran-2-one is sourced from PubChem (CID 56954937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).