Dideoxyadenosine

C10H13N5O2CAS 4097-22-7235.25 g/mol

Open in Covalent MOL file
NH2NNNNHOO
AlcoholEtherPrimary amine

Properties

Molecular formula
C10H13N5O2
Molar mass
235.25 g/mol
Exact mass
235.1069 Da
Melting point
184–186 °C
Water solubility
10–50 g/L (20 °C)
logP
0.08Crippen estimate
Polar surface area
99.1 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
2
Stereocentres
R, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4097-22-7
SMILES
Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1
InChIKey
WVXRAFOPTSTNLL-NKWVEPMBSA-N
InChI
InChI=1S/C10H13N5O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h4-7,16H,1-3H2,(H2,11,12,13)/t6-,7+/m0/s1

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Names and synonyms

4 names
  • Adenosine, 2′,3′-dideoxy-
  • 2′,3′-Dideoxyadenosine
  • NSC 98700
  • NQZ-047

Work with Dideoxyadenosine

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

Didanosine69655-05-673 % similar Cordycepin73-03-063 % similar Deoxyadenosine958-09-862 % similar 2'-Deoxyadenosine monohydrate16373-93-658 % similar Vidarabine5536-17-457 % similar Adenosine58-61-757 % similar (2R,3R,4S,5R)-5-(6-Amino-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol20227-41-253 % similar 2'-Fluoro-2'-deoxyadenosine64183-27-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook