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116195-68-7 | Thymidine, 3'-cyano-3'-deoxy-5'-O-[(1,1-dimethylethyl)diphenylsilyl]- (9CI)
CAS No: 116195-68-7 Catalog No: AG000BV3 MDL No:
Product Description
Catalog Number:
AG000BV3
Chemical Name:
Thymidine, 3'-cyano-3'-deoxy-5'-O-[(1,1-dimethylethyl)diphenylsilyl]- (9CI)
CAS Number:
116195-68-7
Molecular Formula:
C27H31N3O4Si
Molecular Weight:
489.6382
IUPAC Name:
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carbonitrile
InChI:
InChI=1S/C27H31N3O4Si/c1-19-17-30(26(32)29-25(19)31)24-15-20(16-28)23(34-24)18-33-35(27(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,17,20,23-24H,15,18H2,1-4H3,(H,29,31,32)
InChI Key:
IVBPDMFVOMWIRG-UHFFFAOYSA-N
SMILES:
N#C[C@H]1C[C@@H](O[C@@H]1CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)n1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
859
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
489.208g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
489.647g/mol
Monoisotopic Mass:
489.208g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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