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15717-45-0 | Guanosine, 8-bromo-, 2',3',5'-triacetate
CAS No: 15717-45-0 Catalog No: AG001P9M MDL No:
Product Description
Catalog Number:
AG001P9M
Chemical Name:
Guanosine, 8-bromo-, 2',3',5'-triacetate
CAS Number:
15717-45-0
Molecular Formula:
C16H18BrN5O8
Molecular Weight:
488.2468
IUPAC Name:
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl acetate
InChI:
InChI=1S/C16H18BrN5O8/c1-5(23)27-4-8-10(28-6(2)24)11(29-7(3)25)14(30-8)22-12-9(19-15(22)17)13(26)21-16(18)20-12/h8,10-11,14H,4H2,1-3H3,(H3,18,20,21,26)/t8-,10-,11-,14-/m1/s1
InChI Key:
JLZCAXCVNVVXJL-IDTAVKCVSA-N
SMILES:
CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@H](O[C@H]1n1c(Br)nc2c1nc(N)[nH]c2=O)COC(=O)C
EC Number:
239-810-6
Properties
Complexity:
779
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
487.034g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
488.251g/mol
Monoisotopic Mass:
487.034g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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