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123334-76-9 | Adenosine, 2'-amino-2',3'-dideoxy-3'-fluoro- (9CI)
CAS No: 123334-76-9 Catalog No: AG000KE9 MDL No:
Product Description
Catalog Number:
AG000KE9
Chemical Name:
Adenosine, 2'-amino-2',3'-dideoxy-3'-fluoro- (9CI)
CAS Number:
123334-76-9
Molecular Formula:
C10H13FN6O2
Molecular Weight:
268.2476
IUPAC Name:
[(2R,3S,4S,5R)-4-amino-5-(6-aminopurin-9-yl)-3-fluorooxolan-2-yl]methanol
InChI:
InChI=1S/C10H13FN6O2/c11-5-4(1-18)19-10(6(5)12)17-3-16-7-8(13)14-2-15-9(7)17/h2-6,10,18H,1,12H2,(H2,13,14,15)/t4-,5-,6-,10-/m1/s1
InChI Key:
RAGDIWLKEWELTQ-PLDPKQSISA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1F)N)n1cnc2c1ncnc2N
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
268.108g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
268.252g/mol
Monoisotopic Mass:
268.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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