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31085-55-9 | Adenosine, N-(triphenylmethyl)-5'-O-(triphenylmethyl)-
CAS No: 31085-55-9 Catalog No: AG00323F MDL No:
Product Description
Catalog Number:
AG00323F
Chemical Name:
Adenosine, N-(triphenylmethyl)-5'-O-(triphenylmethyl)-
CAS Number:
31085-55-9
Molecular Formula:
C48H41N5O4
Molecular Weight:
751.8702
IUPAC Name:
(2R,3R,4S,5R)-2-[6-(tritylamino)purin-9-yl]-5-(trityloxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C48H41N5O4/c54-42-40(31-56-48(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39)57-46(43(42)55)53-33-51-41-44(49-32-50-45(41)53)52-47(34-19-7-1-8-20-34,35-21-9-2-10-22-35)36-23-11-3-12-24-36/h1-30,32-33,40,42-43,46,54-55H,31H2,(H,49,50,52)/t40-,42-,43-,46-/m1/s1
InChI Key:
YOQGEEYNQDRTDY-QQJAHVSNSA-N
SMILES:
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2NC(c1ccccc1)(c1ccccc1)c1ccccc1)COC(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
1130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
751.316g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
751.887g/mol
Monoisotopic Mass:
751.316g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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