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Home > Fluorides > 139645-52-6
139645-52-6 | Adenosine, 3'-azido-2',3'-dideoxy-2',2'-difluoro- (9CI)
CAS No: 139645-52-6 Catalog No: AG001BFJ MDL No:
Product Description
Catalog Number:
AG001BFJ
Chemical Name:
Adenosine, 3'-azido-2',3'-dideoxy-2',2'-difluoro- (9CI)
CAS Number:
139645-52-6
Molecular Formula:
C10H10F2N8O2
Molecular Weight:
312.2356
IUPAC Name:
[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-azido-4,4-difluorooxolan-2-yl]methanol
InChI:
InChI=1S/C10H10F2N8O2/c11-10(12)6(18-19-14)4(1-21)22-9(10)20-3-17-5-7(13)15-2-16-8(5)20/h2-4,6,9,21H,1H2,(H2,13,15,16)/t4-,6-,9-/m1/s1
InChI Key:
FJNQEWZFGQRYHO-NVMQTXNBSA-N
SMILES:
OC[C@H]1O[C@H](C([C@@H]1N=[N+]=[N-])(F)F)n1cnc2c1ncnc2N
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
312.089g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.241g/mol
Monoisotopic Mass:
312.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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