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123956-65-0

123956-65-0 | Cytidine, N-acetyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-3'-O-[(1,1-dimethylethyl)dimethylsilyl]- (9CI)

CAS No: 123956-65-0 Catalog No: AG000L9U MDL No:

Product Description

Catalog Number:
AG000L9U
Chemical Name:
Cytidine, N-acetyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-3'-O-[(1,1-dimethylethyl)dimethylsilyl]- (9CI)
CAS Number:
123956-65-0
Molecular Formula:
C38H47N3O8Si
Molecular Weight:
701.8806
IUPAC Name:
N-[1-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
InChI:
InChI=1S/C38H47N3O8Si/c1-25(42)39-32-22-23-41(36(44)40-32)35-33(43)34(49-50(7,8)37(2,3)4)31(48-35)24-47-38(26-12-10-9-11-13-26,27-14-18-29(45-5)19-15-27)28-16-20-30(46-6)21-17-28/h9-23,31,33-35,43H,24H2,1-8H3,(H,39,40,42,44)/t31-,33-,34-,35-/m1/s1
InChI Key:
RWIUJRXXJFJUFX-HYGOWAQNSA-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)n1ccc(nc1=O)NC(=O)C

Properties

Complexity:
1190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
701.313g/mol
Formal Charge:
0
Heavy Atom Count:
50  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
701.892g/mol
Monoisotopic Mass:
701.313g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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