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147212-83-7 | 1H-Imidazole-4-carbonitrile, 5-ethynyl-1-[2,3,5-tris-O-[(1,1-dimethylethyl)dimethylsilyl]-β-D-ribofuranosyl]-
CAS No: 147212-83-7 Catalog No: AG001EPH MDL No:
Product Description
Catalog Number:
AG001EPH
Chemical Name:
1H-Imidazole-4-carbonitrile, 5-ethynyl-1-[2,3,5-tris-O-[(1,1-dimethylethyl)dimethylsilyl]-β-D-ribofuranosyl]-
CAS Number:
147212-83-7
Molecular Formula:
C29H53N3O4Si3
Molecular Weight:
592.0053
IUPAC Name:
1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-ethynylimidazole-4-carbonitrile
InChI:
InChI=1S/C29H53N3O4Si3/c1-17-22-21(18-30)31-20-32(22)26-25(36-39(15,16)29(8,9)10)24(35-38(13,14)28(5,6)7)23(34-26)19-33-37(11,12)27(2,3)4/h1,20,23-26H,19H2,2-16H3/t23-,24-,25-,26-/m1/s1
InChI Key:
RJVWHBXVWDAUNX-VEYUFSJPSA-N
SMILES:
N#Cc1ncn(c1C#C)[C@@H]1O[C@@H]([C@H]([C@H]1O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C)CO[Si](C(C)(C)C)(C)C
Properties
Complexity:
962
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
591.334g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
592.015g/mol
Monoisotopic Mass:
591.334g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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