3′-Azido-3′-deoxyadenosine

C₁₀H₁₂N₈O₃CAS 58699-62-0292.26 g/mol

Open in Covalent MOL file

Alcohol Azide Ether Primary amine

Properties

Molecular formula: C₁₀H₁₂N₈O₃
Molar mass: 292.26 g/mol
Exact mass: 292.1032 Da
Melting point: 212–214 °C
logP: -0.66Crippen estimate
Polar surface area: 168.1 Å²
H-bond donors / acceptors: 3 / 8
Rotatable bonds: 3
Stereocentres: S, R, R, Sin SMILES atom order

Identifiers

CAS number

58699-62-0

SMILES

[N-]=[N+]=N[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO

InChIKey

HTWSTKVLFZRAPM-QYYRPYCUSA-N

InChI

InChI=1S/C10H12N8O3/c11-8-6-9(14-2-13-8)18(3-15-6)10-7(20)5(16-17-12)4(1-19)21-10/h2-5,7,10,19-20H,1H2,(H2,11,13,14)/t4-,5-,7-,10-/m1/s1

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

Names and synonyms

1 names

Adenosine, 3′-azido-3′-deoxy-

Work with 3′-Azido-3′-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

Vidarabine5536-17-470 % similar Adenosine58-61-770 % similar 3′-O-Methyladenosine10300-22-864 % similar 2′-O-Methyladenosine2140-79-662 % similar 5′-Chloro-5′-deoxyadenosine892-48-858 % similar 5′-Methylthioadenosine2457-80-955 % similar Inosine58-63-953 % similar Cordycepin73-03-053 % similar

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

Elsewhere

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