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68892-40-0

68892-40-0 | N(4)-ANISOYL-5'-O-(4,4'-DIMETHOXYTRITYL)-2'-DEOXYCYTIDINE

CAS No: 68892-40-0 Catalog No: AG006FYL MDL No:

Product Description

Catalog Number:
AG006FYL
Chemical Name:
N(4)-ANISOYL-5'-O-(4,4'-DIMETHOXYTRITYL)-2'-DEOXYCYTIDINE
CAS Number:
68892-40-0
Molecular Formula:
C38H37N3O8
Molecular Weight:
663.7157
IUPAC Name:
N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methoxybenzamide
InChI:
InChI=1S/C38H37N3O8/c1-45-29-15-9-25(10-16-29)36(43)39-34-21-22-41(37(44)40-34)35-23-32(42)33(49-35)24-48-38(26-7-5-4-6-8-26,27-11-17-30(46-2)18-12-27)28-13-19-31(47-3)20-14-28/h4-22,32-33,35,42H,23-24H2,1-3H3,(H,39,40,43,44)/t32-,33+,35+/m0/s1
InChI Key:
QODIHPTYTSZYOX-VUHKNJSWSA-N
SMILES:
COc1ccc(cc1)C(=O)Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@H](C1)O)COC(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccccc1

Properties

Complexity:
1130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
663.258g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
663.727g/mol
Monoisotopic Mass:
663.258g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  

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