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N2-METHYL-DG CEP

CAS No.:
808132-80-1
Catalog Number:
AG00G38N
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00G38N
Chemical Name:
N2-METHYL-DG CEP
CAS Number:
808132-80-1
MDL Number:
MFCD08062080
IUPAC Name:
3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(methylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
InChI:
InChI=1S/C41H50N7O7P/c1-27(2)48(28(3)4)56(53-23-11-22-42)55-34-24-36(47-26-44-37-38(47)45-40(43-5)46-39(37)49)54-35(34)25-52-41(29-12-9-8-10-13-29,30-14-18-32(50-6)19-15-30)31-16-20-33(51-7)21-17-31/h8-10,12-21,26-28,34-36H,11,23-25H2,1-7H3,(H2,43,45,46,49)/t34-,35+,36+,56?/m0/s1
InChI Key:
VTJVYRYTDJTIAW-MICLYWDSSA-N
Properties
Complexity:
1300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
783.351g/mol
Formal Charge:
0
Heavy Atom Count:
56  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
783.867g/mol
Monoisotopic Mass:
783.351g/mol
Rotatable Bond Count:
18  
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Properties