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.

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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

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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

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