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Home > Fluorides > 119771-21-0
119771-21-0 | Adenosine, 5'-C-fluoro-5'-S-methyl-5'-thio-, (5'R)- (9CI)
CAS No: 119771-21-0 Catalog No: AG000PMJ MDL No:
Product Description
Catalog Number:
AG000PMJ
Chemical Name:
Adenosine, 5'-C-fluoro-5'-S-methyl-5'-thio-, (5'R)- (9CI)
CAS Number:
119771-21-0
Molecular Formula:
C11H14FN5O3S
Molecular Weight:
315.3240
IUPAC Name:
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[(R)-fluoro(methylsulfanyl)methyl]oxolane-3,4-diol
InChI:
InChI=1S/C11H14FN5O3S/c1-21-8(12)7-5(18)6(19)11(20-7)17-3-16-4-9(13)14-2-15-10(4)17/h2-3,5-8,11,18-19H,1H3,(H2,13,14,15)/t5-,6+,7-,8+,11+/m0/s1
InChI Key:
BTYPROBTLQKCNI-YUECIMINSA-N
SMILES:
CS[C@H]([C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)F
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
315.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
315.323g/mol
Monoisotopic Mass:
315.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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