CAS 100645-45-2 | β-D-Galactofuranoside, 4-nitrophenyl | CAS Number 100645-45-2

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100645-45-2 | β-D-Galactofuranoside, 4-nitrophenyl

CAS No: 100645-45-2 Catalog No: AG0002K4 MDL No:

Product Description

Catalog Number:

AG0002K4

Chemical Name:

β-D-Galactofuranoside, 4-nitrophenyl

CAS Number:

100645-45-2

Molecular Formula:

C12H15NO8

Molecular Weight:

301.2494

IUPAC Name:

(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-(4-nitrophenoxy)oxolane-3,4-diol

InChI:

InChI=1S/C12H15NO8/c14-5-8(15)11-9(16)10(17)12(21-11)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10-,11+,12-/m1/s1

InChI Key:

RMQNVZDXEMOJCW-PZWNZHSQSA-N

SMILES:

OC[C@H]([C@@H]1O[C@H]([C@@H]([C@H]1O)O)Oc1ccc(cc1)[N+](=O)[O-])O

Properties

Complexity:

354

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

301.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.251g/mol

Monoisotopic Mass:

301.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

145A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.4

Literature

Title	Journal
Identification and Characterization of a Novel Galactofuranose-Specific β-D-Galactofuranosidase from Streptomyces Species.	PloS one 20150101
Synthesis of 5-deoxy-beta-D-galactofuranosides as tools for the characterization of beta-D-galactofuranosidases.	Bioorganic & medicinal chemistry 20100715