Responsive image

Common name

(2R,3S,4R)-2-methyltetrahydropyran-3,4-diol

IUPAC name

(2R,3S,4R)-2-methyltetrahydropyran-3,4-diol

SMILES

C1OC(C(C(C1)O)O)C

Common name

(2R,3S,4R)-2-methyltetrahydropyran-3,4-diol

IUPAC name

(2R,3S,4R)-2-methyltetrahydropyran-3,4-diol

SMILES

C1OC(C(C(C1)O)O)C

INCHI

InChI=1S/C6H12O3/c1-4-6(8)5(7)2-3-9-4/h4-8H,2-3H2,1H3/t4-,5-,6-/m1/s1

FORMULA

C6H12O3

Responsive image

Common name

(2R,3S,4R)-2-methyltetrahydropyran-3,4-diol

IUPAC name

(2R,3S,4R)-2-methyltetrahydropyran-3,4-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
FDBD01498 Plicamycin Responsive image Antineoplastic Agents; Protein Synthesis Inhibitors; Nucleic Acid Synthesis Inhibitors; Antibiotics, Antineoplastic; Fluorescent Dyes; Antineoplastic and Immunomodulating Agents; Cytotoxic Antibiotics and Related Substances; For the treatment of testicular cancer, as well as hypercalcemia and hypercalciuria associated with a variety of advanced forms of cancer.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
3jzj_ligand_frag_1.mol2 3jzj 1 -6.67 C1[C@@H]([C@H](C[C@H](O1)C)O)O 9
1lf9_ligand_frag_1.mol2 1lf9 1 -6.66 C1[C@@H]([C@H](C[C@H](O1)C)O)O 9
3jyr_ligand_frag_1.mol2 3jyr 1 -6.58 C1[C@@H]([C@H](C[C@H](O1)C)O)O 9
2x2i_ligand_frag_1.mol2 2x2i 1 -6.51 C1[C@@H]([C@H](C[C@H](O1)C)O)O 9
4b9z_ligand_frag_1.mol2 4b9z 1 -6.50 C1[C@@H]([C@H](C[C@H](O1)C)O)O 9
4ccd_ligand.mol2 4ccd 1 -6.47 C1C[C@H]([C@H]([C@@H](CO)O1)O)O 11
2zq0_ligand_frag_1.mol2 2zq0 1 -6.46 C1[C@@H]([C@H](C[C@H](O1)C)O)O 9
4uac_ligand_frag_1.mol2 4uac 1 -6.46 C1[C@@H]([C@H](C[C@H](O1)C)O)O 9
1gah_ligand_frag_1.mol2 1gah 1 -6.45 C1[C@@H]([C@H](C[C@H](O1)C)O)O 9
1gai_ligand_frag_1.mol2 1gai 1 -6.44 C1[C@@H]([C@H](C[C@H](O1)C)O)O 9
102 , 11