chempirical

8-Bromo-2'-deoxyadenosine

C10H12BrN5O3CAS 14985-44-5330.14 g/mol

Open in Covalent MOL file
ONNNNBrNH2OHHO
AlcoholAryl halideEtherPrimary amine

Properties

Molecular formula
C10H12BrN5O3
Molar mass
330.14 g/mol
Exact mass
329.0124 Da
logP
-0.19Crippen estimate
Polar surface area
119.3 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
2
Stereocentres
S, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
14985-44-5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C3=NC=NC(=C3N=C2Br)N)CO)O
InChIKey
NJBIVXMQFIQOGE-KVQBGUIXSA-N
InChI
InChI=1S/C10H12BrN5O3/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,13,14)/t4-,5+,6+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 8-Bromo-2'-deoxyadenosine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

8-Bromoadenosine2946-39-666 % similar Deoxyadenosine958-09-865 % similar 2'-Deoxyadenosine monohydrate16373-93-661 % similar 7-Deaza-7-iodo-2'-deoxyadenosine166247-63-854 % similar Cladribine4291-63-851 % similar Deoxyinosine890-38-048 % similar Cordycepin73-03-047 % similar 8-Azidoadenosine4372-67-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook