Responsive image

Common name

(2S,3R,5S)-2-methyltetrahydropyran-3,5-diol

IUPAC name

(2S,3R,5S)-2-methyltetrahydropyran-3,5-diol

SMILES

O1C(C(CC(C1)O)O)C

Common name

(2S,3R,5S)-2-methyltetrahydropyran-3,5-diol

IUPAC name

(2S,3R,5S)-2-methyltetrahydropyran-3,5-diol

SMILES

O1C(C(CC(C1)O)O)C

INCHI

InChI=1S/C6H12O3/c1-4-6(8)2-5(7)3-9-4/h4-8H,2-3H2,1H3/t4-,5-,6+/m0/s1

FORMULA

C6H12O3

Responsive image

Common name

(2S,3R,5S)-2-methyltetrahydropyran-3,5-diol

IUPAC name

(2S,3R,5S)-2-methyltetrahydropyran-3,5-diol





Molecular weight

132.158

clogP

0.061

clogS

0.481

Frequency

0.0003





HBond Acceptor

3

HBond Donor

2

Total Polar
Surface Area

49.69

Number of Rings

1

Rotatable Bond

0

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01129 Josamycin Responsive image Anti-Bacterial Agents; Macrolides; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Macrolides, Lincosamides and Streptogramins; CYP3A4 Inhibitors; For the treatment of bacterial infections.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
1mfa_ligand_frag_7.mol2 1mfa 1 -6.87 C1O[C@@H]([C@@H](C[C@H]1O)O)C 9
1mfd_ligand_frag_7.mol2 1mfd 1 -6.87 C1O[C@@H]([C@@H](C[C@H]1O)O)C 9
1m7i_ligand_frag_3.mol2 1m7i 1 -6.30 C1[C@@H](C[C@H]([C@@H](O1)C)O)O 9
1ugx_ligand_1_1.mol2 1ugx 0.962963 -6.50 [C@@H]1(OCCC[C@H]1O)CO 9
1m7d_ligand_1_5.mol2 1m7d 0.962963 -6.00 C(O)[C@@H]1[C@H](CCCO1)O 9
100 , 11