5′-Chloro-5′-deoxyadenosine

C₁₀H₁₂ClN₅O₃CAS 892-48-8285.69 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Ether Primary amine

Properties

Molecular formula: C₁₀H₁₂ClN₅O₃
Molar mass: 285.69 g/mol
Exact mass: 285.0629 Da
Melting point: 78–85 °C
logP: -0.73Crippen estimate
Polar surface area: 119.3 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 2
Stereocentres: R, S, S, Rin SMILES atom order

Identifiers

CAS number

892-48-8

SMILES

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O

InChIKey

IYSNPOMTKFZDHZ-KQYNXXCUSA-N

InChI

InChI=1S/C10H12ClN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1

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Names and synonyms

2 names

Adenosine, 5′-chloro-5′-deoxy-
5′-Deoxy-5′-chloroadenosine

Work with 5′-Chloro-5′-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

Vidarabine5536-17-477 % similar Adenosine58-61-777 % similar 5′-Methylthioadenosine2457-80-971 % similar Vidarabine phosphate29984-33-665 % similar Adenosine monophosphate61-19-865 % similar 5′-Deoxyadenosine4754-39-665 % similar 3′-O-Methyladenosine10300-22-863 % similar Adenosine 5′-monophosphate disodium4578-31-861 % similar

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

Same formula

Cladribine4291-63-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook