(2R,3S)-3,5-dihydroxy-2-methyl-2,3-dihydropyran-4-one

C6H8O4 — CID 102515001

IUPAC(2R,3S)-3,5-dihydroxy-2-methyl-2,3-dihydropyran-4-one
SMILESC[C@H]1OC=C(O)C(=O)[C@H]1O
InChIInChI=1S/C6H8O4/c1-3-5(8)6(9)4(7)2-10-3/h2-3,5,7-8H,1H3/t3-,5+/m1/s1
InChIKeyWVBINZLSBQRJFB-WUJLRWPWSA-N
MW144.13 g/mol
LogP-0.27
Rot. Bonds

About (2R,3S)-3,5-dihydroxy-2-methyl-2,3-dihydropyran-4-one

(2R,3S)-3,5-dihydroxy-2-methyl-2,3-dihydropyran-4-one (PubChem CID 102515001) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is (2R,3S)-3,5-dihydroxy-2-methyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R,3S)-3,5-dihydroxy-2-methyl-2,3-dihydropyran-4-one
PubChem CID102515001
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(2R,3S)-3,5-dihydroxy-2-methyl-2,3-dihydropyran-4-one
SMILESC[C@H]1OC=C(O)C(=O)[C@H]1O
InChIInChI=1S/C6H8O4/c1-3-5(8)6(9)4(7)2-10-3/h2-3,5,7-8H,1H3/t3-,5+/m1/s1
InChIKeyWVBINZLSBQRJFB-WUJLRWPWSA-N
XLogP-0.27
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3,5-dihydroxy-2-methyl-2,3-dihydropyran-4-one?
The IUPAC name of (2R,3S)-3,5-dihydroxy-2-methyl-2,3-dihydropyran-4-one (CID 102515001) is (2R,3S)-3,5-dihydroxy-2-methyl-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R,3S)-3,5-dihydroxy-2-methyl-2,3-dihydropyran-4-one?
The canonical SMILES for (2R,3S)-3,5-dihydroxy-2-methyl-2,3-dihydropyran-4-one is C[C@H]1OC=C(O)C(=O)[C@H]1O.
What is the InChIKey of (2R,3S)-3,5-dihydroxy-2-methyl-2,3-dihydropyran-4-one?
The InChIKey is WVBINZLSBQRJFB-WUJLRWPWSA-N. The full InChI is InChI=1S/C6H8O4/c1-3-5(8)6(9)4(7)2-10-3/h2-3,5,7-8H,1H3/t3-,5+/m1/s1.
What are the key properties of (2R,3S)-3,5-dihydroxy-2-methyl-2,3-dihydropyran-4-one?
(2R,3S)-3,5-dihydroxy-2-methyl-2,3-dihydropyran-4-one has a molecular weight of 144.13 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3,5-dihydroxy-2-methyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 102515001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).