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116195-69-8 | Thymidine, 3'-azido-3'-deoxy-5'-O-[(1,1-dimethylethyl)diphenylsilyl]-
CAS No: 116195-69-8 Catalog No: AG000BV2 MDL No:
Product Description
Catalog Number:
AG000BV2
Chemical Name:
Thymidine, 3'-azido-3'-deoxy-5'-O-[(1,1-dimethylethyl)diphenylsilyl]-
CAS Number:
116195-69-8
Molecular Formula:
C26H31N5O4Si
Molecular Weight:
505.6409
IUPAC Name:
1-[(2R,4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C26H31N5O4Si/c1-18-16-31(25(33)28-24(18)32)23-15-21(29-30-27)22(35-23)17-34-36(26(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,16,21-23H,15,17H2,1-4H3,(H,28,32,33)/t21-,22+,23+/m0/s1
InChI Key:
BKXJZJWTYLOFGK-YTFSRNRJSA-N
SMILES:
CC([Si](c1ccccc1)(c1ccccc1)OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O)(C)C
Properties
Complexity:
883
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
505.215g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
505.65g/mol
Monoisotopic Mass:
505.215g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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