Home Other Building Blocks N-Benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-3'-O-[(1,1-dimethylethyl)dimethylsilyl]adenosine

N-Benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-3'-O-[(1,1-dimethylethyl)dimethylsilyl]adenosine

CAS No.:
81256-88-4
Catalog Number:
AG003A0T
Molecular Formula:
C44H49N5O7Si
Molecular Weight:
787.9747
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Product Description
Catalog Number:
AG003A0T
Chemical Name:
N-Benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-3'-O-[(1,1-dimethylethyl)dimethylsilyl]adenosine
CAS Number:
81256-88-4
Molecular Formula:
C44H49N5O7Si
Molecular Weight:
787.9747
MDL Number:
MFCD00274103
IUPAC Name:
N-[9-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoxolan-2-yl]purin-6-yl]benzamide
InChI:
InChI=1S/C44H49N5O7Si/c1-43(2,3)57(6,7)56-38-35(55-42(37(38)50)49-28-47-36-39(45-27-46-40(36)49)48-41(51)29-14-10-8-11-15-29)26-54-44(30-16-12-9-13-17-30,31-18-22-33(52-4)23-19-31)32-20-24-34(53-5)25-21-32/h8-25,27-28,35,37-38,42,50H,26H2,1-7H3,(H,45,46,48,51)/t35-,37-,38-,42-/m1/s1
InChI Key:
QNPRMZLAAWKAPQ-GNECSJIWSA-N
SMILES:
COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@H]1O[C@H]([C@@H]([C@@H]1O[Si](C(C)(C)C)(C)C)O)n1cnc2c1ncnc2NC(=O)c1ccccc1
Properties
Complexity:
1250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
787.34g/mol
Formal Charge:
0
Heavy Atom Count:
57  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
787.989g/mol
Monoisotopic Mass:
787.34g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties