The Biofilms Structural Database

Back

Autoinducer-2

3T95

Code

PAV

Name

(2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran

Molecular Weight

150.13

Isomeric SMILES

C[[email protected]@]1(O)OC[[email protected]](O)C1(O)O

Formula

C5H10O5

Identifiers

(2R,4S)-2-methyloxolane-2,3,3,4-tetrol

Formal Charge

0

InChI

InChI=1S/C5H10O5/c1-4(7)5(8,9)3(6)2-10-4/h3,6-9H,2H2,1H3/t3-,4+/m0/s1

Atom Count

20

InChIKey

BVIYGXUQVXBHQS-IUYQGCFVSA-N

PDB codes

1TJY, 3T95

Type

Non-polymer

Chiral Atom Count

1

Chiral Atoms

C4, C7

Bond Count

20

Aromatic Bond Count

0

Leaving Atoms

n/a