β-​D-​Glucopyranoside, 5-​methyl-​4-​[[4-​(1-​methylethoxy)​phenyl]​methyl]​-​1-​(1-​methylethyl)​-​1H-​pyrazol-​3-​yl


Chemical Name: β-​D-​Glucopyranoside, 5-​methyl-​4-​[[4-​(1-​methylethoxy)​phenyl]​methyl]​-​1-​(1-​methylethyl)​-​1H-​pyrazol-​3-​yl
CAS Number: 329045-45-6
Product Number: AG00CN7D(AGN-PC-0WALNY)
Synonyms:
MDL No:
Molecular Formula: C23H34N2O7
Molecular Weight: 450.5253

Identification/Properties


Computed Properties
Molecular Weight:
450.532g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
8
Exact Mass:
450.237g/mol
Monoisotopic Mass:
450.237g/mol
Topological Polar Surface Area:
126A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
573
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

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NMR Spectrum


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