8-Bromoguanosine

CAT: 0127-BUP17922Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP17922Size:200 mg

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CAS Number

4016-63-1

Purity

=95%

Smiles

NC1=NC(=O)C2=C(N1)N(C1OC(CO)C(O)C1O)C(Br)=N2

Chemical Information

8-Bromoguanosine

8-Bromoguanosine is a purine nucleoside.

CAS Number	4016-63-1
PubChem CID	135465599
IUPAC Name	2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Molecular Formula	C10H12BrN5O5
Molecular Weight	362.14
XLogP	-0.9
Topological Polar Surface Area	155
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	479

SMILES

C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)N=C2Br)O)O)O

InChI

InChI=1S/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4-,5-,8-/m1/s1

InChIKey

ASUCSHXLTWZYBA-UMMCILCDSA-N

Chemical Structure

2D Structure

CAS: 4016-63-1

CID: 135465599

Formula: C10H12BrN5O5

MW: 362.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	362.14
XLogP3	-0.9
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	361.00218
Monoisotopic Mass	361.00218
Topological Polar Surface Area	155 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	479
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
295429-01	8-Bromoguanosine
B 036	8- Bromoguanosine
B21285-01	8-Bromoguanosine 97%
NB28930-01	8-Bromoguanosine hydrate
HY-W767371	8-Bromoguanosine-13C,15N2
TRC-B684366-2.5MG	8-Bromoguanosine-13C2,15N
MBS651097-01	8-Br-cGMP (8-Bromoguanosine-3', 5'-cyclic Monophosphate, Cyclic 8-bromoguanosine-3', 5'-monophosphate, 8-bromoguanosine-3', 5'-monophosphate)