Molecular properties
- Formula
- C10H13N5O4
- Molar mass
- 267.24 g·mol−1
- Exact mass
- 267.0968 Da
- 7
- 4
- 8
- 140.00 Ų
- -1.1 (PubChem computed XLogP3-AA descriptor)
- CAS
- 58-61-7
- PubChem CID
- 60961
Molecule record
adenosine
C10H13N5O4
267.24 g/mol
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alcohol
Amine
Aromatic ring
Phenol
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | -1.1 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 58-61-7
- 6-Amino-9-beta-D-ribofuranosyl-9H-purine
- 6-Amino-9beta-D-ribofuranosyl-9H-purine
- 9-beta-D-Ribofuranosidoadenine
- 9-beta-D-Ribofuranosyl-9H-purin-6-amine
- 9-beta-D-Ribofuranosyladenine
- 9beta-D-Ribofuranosyladenine
- Ade-Rib
Show all 23 synonyms
- Adenine nucleoside
- Adenine riboside
- Adenocard
- Adenocor
- Adenoscan
- Adenosin
- Boniton
- DTXSID1022558
- Myocol
- Nucleocardyl
- SR 96225
- Sandesin
- USAF CB-10
- beta-Adenosine
- beta-D-Adenosine
Structure identifiers
- Canonical SMILES
- C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
- Isomeric SMILES
- C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)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
- InChIKey
- OIRDTQYFTABQOQ-KQYNXXCUSA-N
- PubChem CID
- 60961
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
3350 cm−1broad O-H (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for adenosine; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for adenosine; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.