b-D-Glucopyranosiduronic acid, ethyl


Chemical Name: b-D-Glucopyranosiduronic acid, ethyl
CAS Number: 17685-04-0
Product Number: AG0024Z7(AGN-PC-0QAZT9)
Synonyms:
MDL No: MFCD09037574
Molecular Formula: C8H14O7
Molecular Weight: 222.1926

Identification/Properties


Properties
MP:
160-161°C
BP:
460.0±45.0 °C(Predicted)
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
222.193g/mol
XLogP3:
-1.4
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
222.074g/mol
Monoisotopic Mass:
222.074g/mol
Topological Polar Surface Area:
116A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
231
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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