chempirical

8-Azidoadenosine

C10H12N8O4CAS 4372-67-2308.26 g/mol

Open in Covalent MOL file
NNNNNN+N−OOHHOOHNH2
AlcoholAzideEtherPrimary amine

Properties

Molecular formula
C10H12N8O4
Molar mass
308.26 g/mol
Exact mass
308.0982 Da
logP
-1.04Crippen estimate
Polar surface area
188.3 Ų
H-bond donors / acceptors
4 / 9
Rotatable bonds
3
Stereocentres
R, R, S, 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
4372-67-2
SMILES
C1=NC(=C2C(=N1)N(C(=N2)N=[N+]=[N-])[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChIKey
KYJLJOJCMUFWDY-UUOKFMHZSA-N
InChI
InChI=1S/C10H12N8O4/c11-7-4-8(14-2-13-7)18(10(15-4)16-17-12)9-6(21)5(20)3(1-19)22-9/h2-3,5-6,9,19-21H,1H2,(H2,11,13,14)/t3-,5-,6-,9-/m1/s1

Weigh it out

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

Work with 8-Azidoadenosine

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 Vidarabine5536-17-458 % similar Adenosine58-61-758 % similar 3′-Azido-3′-deoxyadenosine58699-62-056 % similar Tubercidin69-33-051 % similar (2R,3R,4S,5R)-5-(6-Amino-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol20227-41-249 % similar 2'-Fluoro-2'-deoxyadenosine64183-27-349 % similar 2′-O-Methyladenosine2140-79-648 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook