200,000+ products from a single source!

sales@angenechem.com

Home > Other Building Blocks > 124040-41-1

124040-41-1

124040-41-1 | Adenosine, N-[bis(4-methoxyphenyl)phenylmethyl]-5'-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI)

CAS No: 124040-41-1 Catalog No: AG000LG2 MDL No:

Product Description

Catalog Number:
AG000LG2
Chemical Name:
Adenosine, N-[bis(4-methoxyphenyl)phenylmethyl]-5'-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI)
CAS Number:
124040-41-1
Molecular Formula:
C52H49N5O8
Molecular Weight:
871.9742
IUPAC Name:
(2R,3S,4R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-5-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolane-3,4-diol
InChI:
InChI=1S/C50H45N5O6/c1-58-40-27-23-36(24-28-40)49(34-15-7-3-8-16-34,35-17-9-4-10-18-35)54-46-43-47(52-32-51-46)55(33-53-43)48-45(57)44(56)42(61-48)31-60-50(37-19-11-5-12-20-37,38-21-13-6-14-22-38)39-25-29-41(59-2)30-26-39/h3-30,32-33,42,44-45,48,56-57H,31H2,1-2H3,(H,51,52,54)/t42-,44-,45-,48-/m1/s1
InChI Key:
VUMWGIQZBGQJOM-WLOZIAGUSA-N
SMILES:
COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccccc1

Properties

Complexity:
1290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
811.337g/mol
Formal Charge:
0
Heavy Atom Count:
61  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
811.939g/mol
Monoisotopic Mass:
811.337g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1  

© 2019 Angene International Limited. All rights Reserved.