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23205-66-5 | Adenosine, 8-fluoro-, 2',3',5'-triacetate
CAS No: 23205-66-5 Catalog No: AG002MIK MDL No:
Product Description
Catalog Number:
AG002MIK
Chemical Name:
Adenosine, 8-fluoro-, 2',3',5'-triacetate
CAS Number:
23205-66-5
Molecular Formula:
C16H18FN5O7
Molecular Weight:
411.3418
IUPAC Name:
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-amino-8-fluoropurin-9-yl)oxolan-2-yl]methyl acetate
InChI:
InChI=1S/C16H18FN5O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-14-10(21-16(22)17)13(18)19-5-20-14/h5,9,11-12,15H,4H2,1-3H3,(H2,18,19,20)/t9-,11-,12-,15-/m1/s1
InChI Key:
YRTXFEDFTSISLW-SDBHATRESA-N
SMILES:
CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@H](O[C@H]1n1c(F)nc2c1ncnc2N)COC(=O)C
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
411.119g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
411.346g/mol
Monoisotopic Mass:
411.119g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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