Pyridinium, 1-b-D-glucopyranuronosyl-3-[(2S)-1-methyl-2-pyrrolidinyl]-,inner salt


Chemical Name: Pyridinium, 1-b-D-glucopyranuronosyl-3-[(2S)-1-methyl-2-pyrrolidinyl]-,inner salt
CAS Number: 153536-53-9
Product Number: AG00APL3(AGN-PC-0Q6K6Z)
Synonyms:
MDL No:
Molecular Formula: C16H22N2O6
Molecular Weight: 338.35568

Identification/Properties


Computed Properties
Molecular Weight:
338.36g/mol
XLogP3:
-2.3
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
338.148g/mol
Monoisotopic Mass:
338.148g/mol
Topological Polar Surface Area:
117A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
458
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
6
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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