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P-Nitrophenyl β-D-lactoside

CAT: 0013-GTR19247946-01Size: 50 mgDry Ice: NoHazardous: No
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Description
P-Nitrophenyl β-D-lactoside is a biochemical reagent used in glycobiology research. Glycobiology investigates the structure, synthesis, biological significance, and evolution of sugars. This field encompasses carbohydrate chemistry, glycan formation and degradation enzymology, protein-glycan recognition, and the roles of glycans in biological systems. It is closely linked with fundamental research, biomedicine, and biotechnology.
CAS Number
4419-94-7
Smiles
OC[C@@H] (O[C@H] ([C@@H] ([C@H]1O) O) OC2=CC=C (C=C2) [N+] ([O-]) =O) [C@H]1O[C@@H]3O[C@@H] ([C@@H] ([C@@H] ([C@H]3O) O) O) CO
Molecular Formula
C18H25NO13
Molecular Weight
463.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

p-Nitrophenyl beta-D-lactoside

4-nitrophenyl beta-lactoside is a disaccharide derivative that is beta-lactose in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group. It has a role as a chromogenic compound. It is a glycoside, a C-nitro compound and a disaccharide derivative. It is functionally related to a 4-nitrophenol and a beta-lactose.

CAS Number4419-94-7
PubChem CID11812612
IUPAC Name(2S,3R,4S,5R,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
Molecular FormulaC18H25NO13
Molecular Weight463.4
XLogP-2.6
Topological Polar Surface Area224
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity612
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)O)O)O)O
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
InChIKey
IAYJZWFYUSNIPN-MUKCROHVSA-N
Chemical Structure
2D Structure
2D structure of p-Nitrophenyl beta-D-lactoside
CAS: 4419-94-7
CID: 11812612
Formula: C18H25NO13
MW: 463.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.4
XLogP3-2.6
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass463.13258985
Monoisotopic Mass463.13258985
Topological Polar Surface Area224 Ų
Heavy Atom Count32
Formal Charge0
Complexity612
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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