8-Bromoadenosine

CAT: 0127-OR1012091-02Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1012091-02Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

2946-39-6

MDL Number

MFCD00005733

Purity

98%

Smiles

Nc1ncnc2c1nc(Br)n2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O

Chemical Information

8-Bromoadenosine

8-Bromoadenosine is a purine nucleoside.

CAS Number	2946-39-6
PubChem CID	96544
IUPAC Name	(2R,3R,4S,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular Formula	C10H12BrN5O4
Molecular Weight	346.14
XLogP	0
Topological Polar Surface Area	140
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	367

SMILES

C1=NC(=C2C(=N1)N(C(=N2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N

InChI

InChI=1S/C10H12BrN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,9-/m1/s1

InChIKey

VJUPMOPLUQHMLE-UUOKFMHZSA-N

Chemical Structure

2D Structure

CAS: 2946-39-6

CID: 96544

Formula: C10H12BrN5O4

MW: 346.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	346.14
XLogP3	0
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	345.00727
Monoisotopic Mass	345.00727
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
OR01808	8-Methylnon-8-enenitrile
OR01802	8-Bromonon-8-enenitrile
OR2960	8-Chloronon-8-enenitrile
OR01819	Ethyl 8-chloronon-8-enoate
OR01827	Ethyl 8-methylnon-8-enoate
OR01823	Ethyl 8-bromonon-8-enoate
OR1043066-01	Methyl 8-chloro-8-oxooctanoate
OR1041625-01	8- (Benzyloxy) -8-oxooctanoic acid
OR95708-01	8-Ethoxy-8-oxooctanoic acid
PC107869	8,8,8-Trifluoro-7- (trifluoromethyl) octan-1,7-diol

Catalog	Name
BA4313-5000	8-Bromoadenosine
B 033	8- Bromoadenosine
MBS655435-01	8-Br-cAMP (8-Bromoadenosine-3', 5'-cyclic Monophosphate, Cyclic 8-bromoadenosine-3', 5'-monophosphate; 8-bromoadenosine-3', 5'-Monophosphate)
HY-136647-01	8-Bromoadenosine 5'-triphosphate (tetrasodium)
GDA03556-01	8-Bromoadenosine 5′-triphosphate sodium
T40456-01	8-Bromoadenosine 5'-triphosphate tetrasodium
B2671-10	8-Br-cAMP (8-Bromoadenosine-3', 5'-cyclic Monophosphate, Cyclic 8-bromoadenosine-3', 5'-monophosphate; 8-bromoadenosine-3', 5'-Monophosphate) discontinued
B2846-50	8-Bromoadenosine (6-Amino-8-bromopurine Riboside)
B 067-25	8- Bromoadenosine- 5'- O- diphosphate (8-Br-ADP)
440044-01	8-Bromoadenosine 5'-Triphosphate Sodium Salt