Name: Name:D-threo-Pentitol, 2,5-anhydro-4-[[[(4-chlorophenyl)sulfonyl]oxy]methyl]-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-
Brand: Angene
SKU: AG00214F
Rating: 90 (10 reviews)

D-threo-Pentitol, 2,5-anhydro-4-[[[(4-chlorophenyl)sulfonyl]oxy]methyl]-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-

CAS No.:

175712-02-4

Catalog Number:

AG00214F

Molecular Formula:

C20H18ClF2N3O4S

Molecular Weight:

469.8894

Catalog Number:

AG00214F

Chemical Name:

D-threo-Pentitol, 2,5-anhydro-4-[[[(4-chlorophenyl)sulfonyl]oxy]methyl]-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-

CAS Number:

175712-02-4

Molecular Formula:

C20H18ClF2N3O4S

Molecular Weight:

469.8894

MDL Number:

MFCD28009665

IUPAC Name:

[(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-chlorobenzenesulfonate

InChI:

InChI=1S/C20H18ClF2N3O4S/c21-15-1-4-17(5-2-15)31(27,28)30-10-14-8-20(29-9-14,11-26-13-24-12-25-26)18-6-3-16(22)7-19(18)23/h1-7,12-14H,8-11H2/t14-,20-/m0/s1

InChI Key:

WUPORSBDFSRGHD-XOBRGWDASA-N

SMILES:

Clc1ccc(cc1)S(=O)(=O)OC[C@@H]1CO[C@@](C1)(Cn1ncnc1)c1ccc(cc1F)F

EC Number:

605-760-2

Complexity:

707

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

469.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

469.888g/mol

Monoisotopic Mass:

469.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3