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Home > Fluorides > 136834-21-4

136834-21-4

136834-21-4 | Adenosine, N-benzoyl-5'-O-[bis(4-Methoxyphenyl)phenylMethyl]-2'-deoxy-2'-fluoro-

CAS No: 136834-21-4 Catalog No: AG0012FD MDL No:MFCD15145191

Product Description

Catalog Number:
AG0012FD
Chemical Name:
Adenosine, N-benzoyl-5'-O-[bis(4-Methoxyphenyl)phenylMethyl]-2'-deoxy-2'-fluoro-
CAS Number:
136834-21-4
Molecular Formula:
C38H34FN5O6
Molecular Weight:
675.7049
MDL Number:
MFCD15145191
IUPAC Name:
N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluoro-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide
InChI:
InChI=1S/C38H34FN5O6/c1-47-28-17-13-26(14-18-28)38(25-11-7-4-8-12-25,27-15-19-29(48-2)20-16-27)49-21-30-33(45)31(39)37(50-30)44-23-42-32-34(40-22-41-35(32)44)43-36(46)24-9-5-3-6-10-24/h3-20,22-23,30-31,33,37,45H,21H2,1-2H3,(H,40,41,43,46)/t30-,31-,33-,37-/m1/s1
InChI Key:
DDOOVEXTSRBCMU-VYUOYPLNSA-N
SMILES:
COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)F)n1cnc2c1ncnc2NC(=O)c1ccccc1

Properties

Complexity:
1060  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
675.249g/mol
Formal Charge:
0
Heavy Atom Count:
50  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
675.717g/mol
Monoisotopic Mass:
675.249g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  

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