2-Fluoroadenosine

CAT: 0127-BI1015-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-BI1015-02Size:5 g

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CAS Number

146-78-1

MDL Number

MFCD00866394

Purity

98%

Smiles

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

Chemical Information

2-Fluoroadenosine

2-fluoroadenosine is a member of adenosines and an organofluorine compound.

CAS Number	146-78-1
PubChem CID	8975
IUPAC Name	(2R,3R,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular Formula	C10H12FN5O4
Molecular Weight	285.23
XLogP	-0.6
Topological Polar Surface Area	140
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	367

SMILES

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

InChI

InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1

InChIKey

HBUBKKRHXORPQB-UUOKFMHZSA-N

Chemical Structure

2D Structure

CAS: 146-78-1

CID: 8975

Formula: C10H12FN5O4

MW: 285.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	285.23
XLogP3	-0.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Exact Mass	285.08733204
Monoisotopic Mass	285.08733204
Topological Polar Surface Area	140 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	367
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
BUP06652-01	3'-Deoxy-3'-fluoroadenosine
BUP17616-01	2-Fluoroadenine
BIMN2039-01	Arabinofuranosyl-2-fluoroadenine
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
PC450293-01	2,2-Difluoroethyl 2,2,2-trifluoroethyl carbonate
PC100568-01	2,2,2-Trifluoroethyl 2-cyanoacetate
PC50050-01	2'-Amino-2,2,2-trifluoroacetophenone
PC500831	2- (2,2,2-Trifluoroethoxy) benzaldehyde

Catalog	Name
HY-W011517-01	2-Fluoroadenosine
HY-W011517R-01	2-Fluoroadenosine (Standard)
B8924-100	2′-Deoxy-2′-fluoroadenosine
sc-283469	2'-Deoxy-2'-fluoroadenosine
296014-01	2'-Deoxy-2-fluoroadenosine
ND02602	2'-Deoxy-5-fluoroadenosine
ND29524-01	3'-Deoxy-2-fluoroadenosine
TRC-F587220-25MG	8-Fluoroadenosine
295166-01	2-Amino-2'-deoxy-2'-fluoroadenosine
NC76633-01	2-Chloro-2'-deoxy-2'-fluoroadenosine