FK-506 3'-Methyl Ether


Chemical Name: FK-506 3'-Methyl Ether
CAS Number: 124554-16-1
Product Number: AG000M76(AGN-PC-0WAIDI)
Synonyms:
MDL No:
Molecular Formula: C45H71NO12
Molecular Weight: 818.0447

Identification/Properties


Computed Properties
Molecular Weight:
818.058g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
8
Exact Mass:
817.498g/mol
Monoisotopic Mass:
817.498g/mol
Topological Polar Surface Area:
167A^2
Heavy Atom Count:
58
Formal Charge:
0
Complexity:
1500
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
14
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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