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Home > Fluorides > 136834-22-5

136834-22-5

136834-22-5 | Adenosine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]

CAS No: 136834-22-5 Catalog No: AG0012FC MDL No:MFCD12912392

Product Description

Catalog Number:
AG0012FC
Chemical Name:
Adenosine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]
CAS Number:
136834-22-5
Molecular Formula:
C47H51FN7O7P
Molecular Weight:
875.9227
MDL Number:
MFCD12912392
IUPAC Name:
N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]purin-6-yl]benzamide
InChI:
InChI=1S/C47H51FN7O7P/c1-31(2)55(32(3)4)63(60-27-13-26-49)62-42-39(61-46(40(42)48)54-30-52-41-43(50-29-51-44(41)54)53-45(56)33-14-9-7-10-15-33)28-59-47(34-16-11-8-12-17-34,35-18-22-37(57-5)23-19-35)36-20-24-38(58-6)25-21-36/h7-12,14-25,29-32,39-40,42,46H,13,27-28H2,1-6H3,(H,50,51,53,56)/t39-,40-,42-,46-,63?/m1/s1
InChI Key:
VCCMVPDSLHFCBB-MSIRFHFKSA-N
SMILES:
N#CCCOP(N(C(C)C)C(C)C)O[C@@H]1[C@@H](COC(c2ccc(cc2)OC)(c2ccc(cc2)OC)c2ccccc2)O[C@H]([C@@H]1F)n1cnc2c1ncnc2NC(=O)c1ccccc1

Properties

Complexity:
1420  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
875.357g/mol
Formal Charge:
0
Heavy Atom Count:
63  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
875.939g/mol
Monoisotopic Mass:
875.357g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5  

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