chempirical

Adenosine

C10H13N5O4CAS 58-61-7267.25 g/mol

Open in Covalent MOL file
H2NNNNNOOHOHHO
AlcoholEtherPrimary amine

Properties

Molecular formula
C10H13N5O4
Molar mass
267.25 g/mol
Exact mass
267.0968 Da
Melting point
235.5 °C
pKa
3.6, 12.4
Water solubility
5.1 g/L (25 °C)
logP
-1.98Crippen estimate
Polar surface area
139.5 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
2
Stereocentres
R, R, S, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 155 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
58-61-7
SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey
OIRDTQYFTABQOQ-KQYNXXCUSA-N
InChI
InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1

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Names and synonyms

24 names · show all
  • Adenine riboside
  • 9-β-D-Ribofuranosyladenine
  • β-D-Adenosine
  • 9H-Purin-6-amine, 9-β-D-ribofuranosyl-
  • β-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-
  • β-D-Ribofuranoside, adenine-9
  • β-Adenosine
  • Boniton
  • Myocol
  • Nucleocardyl
  • Sandesin
  • Riboadenosine
  • 9-β-D-Ribofuranosyl-9H-purin-6-amine
  • D-Adenosine
  • Adenocard
  • Adenoscan
  • Adrekar
  • Adenocor
  • NSC 7652
  • 24: PN: WO2007053194 SEQID: 49 claimed sequence
  • 26: PN: WO2007053194 SEQID: 49 claimed sequence
  • 27: PN: WO2007053194 SEQID: 49 claimed sequence
  • Adenogesic
  • NQZ-012

Work with Adenosine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Vidarabine5536-17-4Diastereomer

Similar compounds

(2R,3R,4S,5R)-5-(6-Amino-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol20227-41-279 % similar 2'-Fluoro-2'-deoxyadenosine64183-27-379 % similar 3'-Fluoro-3'-deoxyadenosine75059-22-279 % similar 3′-O-Methyladenosine10300-22-878 % similar 2′-O-Methyladenosine2140-79-678 % similar 5′-Chloro-5′-deoxyadenosine892-48-877 % similar Inosine58-63-974 % similar 6-Methylpurine riboside14675-48-073 % similar

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

Same formula

Azidothymidine30516-87-1 3'-Deoxyguanosine3608-58-0 2-Aminopurine riboside4546-54-7 Deoxyguanosine961-07-9

Elsewhere

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