(2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran
(2R,4S)-2-methyloxolane-2,3,3,4-tetrol
Molecular Identity
(2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran
(2R,4S)-2-methyloxolane-2,3,3,4-tetrol
PubChem CID: 448719
(2R,4S)-2-methyltetrahydrofuran-2,3,3,4-tetrol is a tetrahydroxytetrahydrofuran in which the hydroxy groups are located at positions 2, 3, 4, and 4 and which is substituted by a methyl group at position 2 (the 2R,4S diastereoisomer). It has a role as an autoinducer. It is a tetrol, a tetrahydroxytetrahydrofuran, a cyclic ketal and a ketone hydrate.
2D Structure
Properties
C5H10O5
Molecular Formula
150.13
Molecular Weight
g/mol
150.0528
Exact Mass
Da
-2.5
XLogP
Drug-like (Lipinski: < 5)
90.2
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
5
H-Bond Acceptors
145
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C(C(CO1)O)(O)O)OIsomeric SMILES
SMILES: C[C@@]1(C([C@H](CO1)O)(O)O)OSynonyms(20)
(2R,4S)-2-METHYL-2,3,3,4-TETRAHYDROXYTETRAHYDROFURAN(R)-THMF2-METHYLOXOLANE-2,3,3,4-TETROLRefChem:397628(2R,4S)-2-methyloxolane-2,3,3,4-tetrol791810-94-1auto inducer 2(2R,4S)-2-methyltetrahydrofuran-2,3,3,4-tetrol(2R,4S)-2-Methyldihydrofuran-2,3,3,4(2H)-tetraolPAV(2R,4S)-2-methyldihydrofuran-2,3,3,4(2H)-tetrolAI-2 (salmonella)R-THMFstarbld0015784autoinducer 2 (salmonella)
Data from PubChem (NCBI)
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Molecular Structure
(2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran
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Drug Network
Trials and conditions connected to (2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran
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