b-D-Glucopyranosiduronic acid, 4-nitrophenyl


Chemical Name: b-D-Glucopyranosiduronic acid, 4-nitrophenyl
CAS Number: 10344-94-2
Product Number: AG003LWA(AGN-PC-0OSEK4)
Synonyms:
MDL No:
Molecular Formula: C12H13NO9
Molecular Weight: 315.2329

Identification/Properties


Properties
MP:
93 °C
BP:
644.434°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Liquid
Solubility:
H2O: 0.1 g/mL, clear, faintly yellow
Computed Properties
Molecular Weight:
315.234g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
3
Exact Mass:
315.059g/mol
Monoisotopic Mass:
315.059g/mol
Topological Polar Surface Area:
162A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
417
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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