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139244-35-2 | Adenosine, N-benzoyl-2'-deoxy-5'-O-[(1,1-dimethylethyl)diphenylsilyl]-
CAS No: 139244-35-2 Catalog No: AG001AJZ MDL No:
Product Description
Catalog Number:
AG001AJZ
Chemical Name:
Adenosine, N-benzoyl-2'-deoxy-5'-O-[(1,1-dimethylethyl)diphenylsilyl]-
CAS Number:
139244-35-2
Molecular Formula:
C33H35N5O4Si
Molecular Weight:
593.7476
IUPAC Name:
N-[9-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide
InChI:
InChI=1S/C33H35N5O4Si/c1-33(2,3)43(24-15-9-5-10-16-24,25-17-11-6-12-18-25)41-20-27-26(39)19-28(42-27)38-22-36-29-30(34-21-35-31(29)38)37-32(40)23-13-7-4-8-14-23/h4-18,21-22,26-28,39H,19-20H2,1-3H3,(H,34,35,37,40)
InChI Key:
LBMIKMOFXXGONY-UHFFFAOYSA-N
SMILES:
O[C@H]1C[C@@H](O[C@@H]1CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)n1cnc2c1ncnc2NC(=O)c1ccccc1
Properties
Complexity:
900
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
593.246g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
593.759g/mol
Monoisotopic Mass:
593.246g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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