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119898-65-6 | Adenosine, 5'-O-[(1,1-dimethylethyl)diphenylsilyl]-
CAS No: 119898-65-6 Catalog No: AG000PTR MDL No:
Product Description
Catalog Number:
AG000PTR
Chemical Name:
Adenosine, 5'-O-[(1,1-dimethylethyl)diphenylsilyl]-
CAS Number:
119898-65-6
Molecular Formula:
C26H31N5O4Si
Molecular Weight:
505.6409
IUPAC Name:
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol
InChI:
InChI=1S/C26H31N5O4Si/c1-26(2,3)36(17-10-6-4-7-11-17,18-12-8-5-9-13-18)34-14-19-21(32)22(33)25(35-19)31-16-30-20-23(27)28-15-29-24(20)31/h4-13,15-16,19,21-22,25,32-33H,14H2,1-3H3,(H2,27,28,29)/t19-,21-,22-,25-/m1/s1
InChI Key:
XBWAOGQHAWZSOT-PTGPVQHPSA-N
SMILES:
O[C@@H]1[C@@H](CO[Si](C(C)(C)C)(c2ccccc2)c2ccccc2)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
Properties
Complexity:
712
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
505.215g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
505.65g/mol
Monoisotopic Mass:
505.215g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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