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102212-98-6

102212-98-6 | Cytidine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]

CAS No: 102212-98-6 Catalog No: AG0006Y6 MDL No:MFCD00036315

Product Description

Catalog Number:
AG0006Y6
Chemical Name:
Cytidine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]
CAS Number:
102212-98-6
Molecular Formula:
C46H52N5O8P
Molecular Weight:
833.9075
MDL Number:
MFCD00036315
IUPAC Name:
N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
InChI:
InChI=1S/C46H52N5O8P/c1-32(2)51(33(3)4)60(57-29-13-27-47)59-40-30-43(50-28-26-42(49-45(50)53)48-44(52)34-14-9-7-10-15-34)58-41(40)31-56-46(35-16-11-8-12-17-35,36-18-22-38(54-5)23-19-36)37-20-24-39(55-6)25-21-37/h7-12,14-26,28,32-33,40-41,43H,13,29-31H2,1-6H3,(H,48,49,52,53)/t40-,41+,43+,60?/m0/s1
InChI Key:
PGTNFMKLGRFZDX-SALLYJDFSA-N
SMILES:
N#CCCOP(N(C(C)C)C(C)C)O[C@H]1C[C@@H](O[C@@H]1COC(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccccc1)n1ccc(nc1=O)NC(=O)c1ccccc1
EC Number:
801-520-8

Properties

Complexity:
1440  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
833.355g/mol
Formal Charge:
0
Heavy Atom Count:
60  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
833.923g/mol
Monoisotopic Mass:
833.355g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3  

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