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2'-O-METHYL-I CEP

CAS No.:
128219-85-2
Catalog Number:
AG009BI4
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009BI4
Chemical Name:
2'-O-METHYL-I CEP
CAS Number:
128219-85-2
MDL Number:
MFCD08062007
IUPAC Name:
3-[[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-methoxy-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
InChI:
InChI=1S/C41H49N6O8P/c1-27(2)47(28(3)4)56(53-23-11-22-42)55-36-34(54-40(37(36)51-7)46-26-45-35-38(46)43-25-44-39(35)48)24-52-41(29-12-9-8-10-13-29,30-14-18-32(49-5)19-15-30)31-16-20-33(50-6)21-17-31/h8-10,12-21,25-28,34,36-37,40H,11,23-24H2,1-7H3,(H,43,44,48)/t34-,36-,37-,40-,56?/m1/s1
InChI Key:
PVFNTYBGWVZMCX-HLHZJIEZSA-N
Properties
Complexity:
1280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
784.335g/mol
Formal Charge:
0
Heavy Atom Count:
56  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
784.851g/mol
Monoisotopic Mass:
784.335g/mol
Rotatable Bond Count:
18  
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Properties