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4-Nitrophenyl β-D-cellotetraoside

CAT: 0804-HY-138111Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138111Size:10 mg
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Description
4-Nitrophenyl β-D-cellotetraoside (p-Nitopheyl β-D-cellotetaoside) is a small molecule cellulose mimetic consisting of a tetramer of D-glucose units linked by β-1-4 glycosidic bonds. The fragmentation pattern of 4-Nitrophenyl β-D-cellotetraoside after enzymatic hydrolysis can be analyzed by TLC or by the release of 4-nitrophenol, which has a strong absorbance at 395 nm in alkaline solutions. 4-Nitrophenyl β-D-cellotetraoside can be used in cellulose degradation studies to determine the specificity of cellulases[1].
CAS Number
129411-62-7
Product Name Alternative
P-Nitopheyl β-D-cellotetaoside
UNSPSC
12171500
Hazard Statement
H302-H315-H319-H335
Target
Fluorescent Dye
Related Pathways
Others
Field of Research
Others
Smiles
OC[C@@H](O[C@H]1O[C@@H]([C@@H]([C@H]2O)O)[C@H](O[C@H]2OC(C=C3)=CC=C3[N](=O)=O)CO)[C@H]([C@@H]([C@H]1O)O)O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]([C@H]4O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]([C@H]5O)CO)CO
Molecular Formula
C30H45NO23
Molecular Weight
787.67
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Hakamada Y, et al. Enzymatic properties, crystallization, and deduced amino acid sequence of an alkaline endoglucanase from Bacillus circulans[J]. Biochimica et Biophysica Acta (BBA) -General Subjects, 2002, 1570 (3) : 174-180.
Shipping Conditions
Room temperature
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

P-Nitrophenyl beta-D-cellotetraoside
CAS Number129411-62-7
PubChem CID52940099
IUPAC Name(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC30H45NO23
Molecular Weight787.7
XLogP-6.9
Topological Polar Surface Area383
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count23
Rotatable Bond Count12
Heavy Atom Count54
Formal Charge0
Complexity1180
SMILES
C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O)O
InChI
InChI=1S/C30H45NO23/c32-5-11-15(36)16(37)20(41)28(48-11)52-25-13(7-34)50-30(22(43)18(25)39)54-26-14(8-35)51-29(23(44)19(26)40)53-24-12(6-33)49-27(21(42)17(24)38)47-10-3-1-9(2-4-10)31(45)46/h1-4,11-30,32-44H,5-8H2/t11-,12-,13-,14-,15-,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30+/m1/s1
InChIKey
NPSLEEASXYBLOE-HGEVGGQQSA-N
Chemical Structure
2D Structure
2D structure of P-Nitrophenyl beta-D-cellotetraoside
CAS: 129411-62-7
CID: 52940099
Formula: C30H45NO23
MW: 787.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight787.7
XLogP3-6.9
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count23
Rotatable Bond Count12
Exact Mass787.23823668
Monoisotopic Mass787.23823668
Topological Polar Surface Area383 Ų
Heavy Atom Count54
Formal Charge0
Complexity1180
Isotope Atom Count0
Defined Atom Stereocenter Count20
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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