Home Other Building Blocks 5'-O-DMT-2'-O-methyl-N6-phenoxyacetyl-D-adenosine

5'-O-DMT-2'-O-methyl-N6-phenoxyacetyl-D-adenosine

CAS No.:
128219-81-8
Catalog Number:
AG009H5C
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009H5C
Chemical Name:
5'-O-DMT-2'-O-methyl-N6-phenoxyacetyl-D-adenosine
CAS Number:
128219-81-8
MDL Number:
MFCD09750852
IUPAC Name:
N-[9-[(2R,3R,4R,5R)-4-hydroxy-3-methoxy-5-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]purin-6-yl]-2-phenoxyacetamide
InChI:
InChI=1S/C40H39N5O8/c1-48-29-19-17-27(18-20-29)40(26-11-6-4-7-12-26,28-13-10-16-31(21-28)49-2)52-22-32-35(47)36(50-3)39(53-32)45-25-43-34-37(41-24-42-38(34)45)44-33(46)23-51-30-14-8-5-9-15-30/h4-21,24-25,32,35-36,39,47H,22-23H2,1-3H3,(H,41,42,44,46)/t32-,35-,36-,39-,40?/m1/s1
InChI Key:
GHJIISZNTSASNR-QWGRGFTDSA-N
Properties
Complexity:
1140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
717.28g/mol
Formal Charge:
0
Heavy Atom Count:
53  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
717.779g/mol
Monoisotopic Mass:
717.28g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Properties