β-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(βR)-1H-pyrazole-1-propanenitrile, phosphate


Chemical Name: β-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(βR)-1H-pyrazole-1-propanenitrile, phosphate
CAS Number: 1092939-17-7
Product Number: AG008R6C(AGN-PC-0OZE7M)
Synonyms:
MDL No:
Molecular Formula: C17H21N6O4P
Molecular Weight: 404.3602

Identification/Properties


Computed Properties
Molecular Weight:
404.367g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
4
Exact Mass:
404.136g/mol
Monoisotopic Mass:
404.136g/mol
Topological Polar Surface Area:
161A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
503
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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