CAS 3482-57-3 | 4-NITROPHENYL-BETA-D-CELLOBIOSIDE | CAS Number 3482-57-3

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3482-57-3 | 4-NITROPHENYL-BETA-D-CELLOBIOSIDE

CAS No: 3482-57-3 Catalog No: AG003LW9 MDL No:MFCD00069845

Product Description

Catalog Number:

AG003LW9

Chemical Name:

4-NITROPHENYL-BETA-D-CELLOBIOSIDE

CAS Number:

3482-57-3

Molecular Formula:

C18H25NO13

Molecular Weight:

463.3900

MDL Number:

MFCD00069845

IUPAC Name:

(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

InChI:

InChI=1S/C18H25NO13/c20-5-9-11(22)12(23)14(25)18(30-9)32-16-10(6-21)31-17(15(26)13(16)24)29-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10-,11-,12+,13-,14-,15-,16-,17-,18+/m1/s1

InChI Key:

IAYJZWFYUSNIPN-KFRZSCGFSA-N

SMILES:

OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O

Properties

Complexity:

612

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

463.133g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

463.392g/mol

Monoisotopic Mass:

463.133g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

224A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.6

Literature

Title	Journal
The kinetics of p-nitrophenyl-β-D-cellobioside hydrolysis and transglycosylation by Thermobifida fusca Cel5Acd.	Carbohydrate research 20101122
Structural changes of cellobiohydrolase I (1,4-beta-D-glucan-cellobiohydrolase I, CBHI) and PNPC (p-nitrophenyl-beta-D-cellobioside) during the binding process.	Science in China. Series C, Life sciences 20080501
Kinetic characterization of glycosidase activity from disaccharide conjugate to monosaccharide conjugate in Caco-2 cells.	The Journal of pharmacy and pharmacology 20050501
Biochemical and catalytic properties of an endoxylanase purified from the culture filtrate of Sporotrichum thermophile.	Carbohydrate research 20030901
A monovalent anion affected multi-functional cellulase EGX from the mollusca, Ampullaria crossean.	Protein expression and purification 20030901
Purification and some properties of a beta-glucosidase from Trichoderma harzianum type C-4.	Bioscience, biotechnology, and biochemistry 20010901
Purification and characterization of a cellulase from the ruminal fungus Orpinomyces joyonii cloned in Escherichia coli.	The international journal of biochemistry & cell biology 20010101