1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,3R,4S,5S,6R)-2-[2-(difluoromethyl)-4-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2.1.2 InChI

InChI=1S/C14H18F2O7/c1-21-6-2-3-8(7(4-6)13(15)16)22-14-12(20)11(19)10(18)9(5-17)23-14/h2-4,9-14,17-20H,5H2,1H3/t9-,10-,11+,12-,14-/m1/s1

2.1.3 InChI Key

FRQYGDCXRQFEMJ-YGEZULPYSA-N

2.1.4 Canonical SMILES

COC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)C(F)F

2.1.5 Isomeric SMILES

COC1=CC(=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Bdbm85299

2.3 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₈F₂O₇
Molecular Weight	336.28 g/mol
XLogP3	-0.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	336.10205923 g/mol
Monoisotopic Mass	336.10205923 g/mol
Topological Polar Surface Area	109 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	373
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Glucosidase Inhibitor, 6F