Name: Name:D-glycero-Pentitol, 1,5-anhydro-3,4-dideoxy-5-C-(2,5-difluorophenyl)-4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2ξ,5R)-
Brand: Angene
SKU: AG000DZV
Rating: 90 (10 reviews)

D-glycero-Pentitol, 1,5-anhydro-3,4-dideoxy-5-C-(2,5-difluorophenyl)-4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2ξ,5R)-

CAS No.:

1172623-99-2

Catalog Number:

AG000DZV

Molecular Formula:

C16H21F2NO4

Molecular Weight:

329.3390

Catalog Number:

AG000DZV

Chemical Name:

D-glycero-Pentitol, 1,5-anhydro-3,4-dideoxy-5-C-(2,5-difluorophenyl)-4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2ξ,5R)-

CAS Number:

1172623-99-2

Molecular Formula:

C16H21F2NO4

Molecular Weight:

329.3390

MDL Number:

MFCD28411481

IUPAC Name:

tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-hydroxyoxan-3-yl]carbamate

InChI:

InChI=1S/C16H21F2NO4/c1-16(2,3)23-15(21)19-13-7-10(20)8-22-14(13)11-6-9(17)4-5-12(11)18/h4-6,10,13-14,20H,7-8H2,1-3H3,(H,19,21)/t10?,13-,14+/m0/s1

InChI Key:

RYDSJJXCDQFTKF-INPHSSGZSA-N

SMILES:

OC1CO[C@@H]([C@H](C1)NC(=O)OC(C)(C)C)c1cc(F)ccc1F

Complexity:

415

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

329.144g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

329.344g/mol

Monoisotopic Mass:

329.144g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1