CAS 28541-75-5 | α-D-Mannopyranoside, 4-methoxyphenyl | CAS Number 28541-75-5

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28541-75-5 | α-D-Mannopyranoside, 4-methoxyphenyl

CAS No: 28541-75-5 Catalog No: AG002VOF MDL No:

Product Description

Catalog Number:

AG002VOF

Chemical Name:

α-D-Mannopyranoside, 4-methoxyphenyl

CAS Number:

28541-75-5

Molecular Formula:

C13H18O7

Molecular Weight:

286.2778

IUPAC Name:

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

InChI:

InChI=1S/C13H18O7/c1-18-7-2-4-8(5-3-7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-17H,6H2,1H3/t9-,10-,11+,12+,13+/m1/s1

InChI Key:

SIXFVXJMCGPTRB-BNDIWNMDSA-N

SMILES:

OC[C@H]1O[C@H](Oc2ccc(cc2)OC)[C@H]([C@H]([C@@H]1O)O)O

Properties

Complexity:

292

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

286.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

286.28g/mol

Monoisotopic Mass:

286.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

109A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.7

Literature

Title	Journal
Structure-based drug design and optimization of mannoside bacterial FimH antagonists.	Journal of medicinal chemistry 20100624
Synthesis of alpha-Manp-(1-->2)-alpha-Manp-(1-->3)-alpha-Manp-(1-->3)-Manp, the tetrasaccharide repeating unit of Escherichia coli O9a, and alpha-Manp-(1-->2)-alpha-Manp-(1-->2)-alpha-Manp-(1-->3)-alpha-Manp-(1-->3)-Manp, the pentasaccharide repeating unit of E. coli O9 and Klebsiella O3.	Carbohydrate research 20020301