2'-Deoxy-2'-fluoro-2-fluoroadenosine

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CAS Number

147048-53-1

Synonyms

9- (2-fluoro-2-deoxy-beta-D-ribofuranosyl) -2-fluoroadenine

MDL Number

MFCD15145276

Smiles

Nc1nc(F)nc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3F

Additionnal Information

Store at 2-8°C

Storage Conditions

Store at 2-8°C

Chemical Information

9-(2'-Deoxy-2'-fluoro-b-D-ribofuranosyl)-2-fluoroadenine

CAS Number	147048-53-1
PubChem CID	9994200
IUPAC Name	(2R,3R,4R,5R)-5-(6-amino-2-fluoropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
Molecular Formula	C10H11F2N5O3
Molecular Weight	287.22
XLogP	0.4
Topological Polar Surface Area	119
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	368

SMILES

C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)F)N

InChI

InChI=1S/C10H11F2N5O3/c11-4-6(19)3(1-18)20-9(4)17-2-14-5-7(13)15-10(12)16-8(5)17/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4-,6-,9-/m1/s1

InChIKey

OOSVZNYQTCFEON-DXTOWSMRSA-N

Chemical Structure

2D Structure

CAS: 147048-53-1

CID: 9994200

Formula: C10H11F2N5O3

MW: 287.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	287.22
XLogP3	0.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Exact Mass	287.08299555
Monoisotopic Mass	287.08299555
Topological Polar Surface Area	119 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	368
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BIMN2001-01	2'-Deoxy-2'-fluoroadenosine
BIMN2009-01	2'-Deoxy-2-fluoroadenosine
BIMN2005	2'-Amino-2'-deoxy-2-fluoroadenosine
BIMN2018	2’-Deoxy-2’-fluoroadenosine-3’-CE-phosphoramidite
BI1015-01	2-Fluoroadenosine
BUP19993	2-Fluoroadenosine
BUP17612	2-Fluoroadenosine
BUP06652-01	3'-Deoxy-3'-fluoroadenosine
PC1008606-01	2'-Deoxy-2'-fluoro-4-thiouridine
PC7306	2-Deoxy-2-fluoro-D-glucose

Catalog	Name
B8924-100	2′-Deoxy-2′-fluoroadenosine
sc-283469	2'-Deoxy-2'-fluoroadenosine
296014-01	2'-Deoxy-2-fluoroadenosine
295166-01	2-Amino-2'-deoxy-2'-fluoroadenosine
NC76633-01	2-Chloro-2'-deoxy-2'-fluoroadenosine
ND02602	2'-Deoxy-5-fluoroadenosine
ND29524-01	3'-Deoxy-2-fluoroadenosine
TNU1584-01	8-Chloro-2'-deoxy-2'-fluoroadenosine
HY-154396	8-Chloro-2’-deoxy-2’-fluoroadenosine
ND45638	2'-Deoxy-4'-ethynyl-2-fluoroadenosine