Molecular properties
- Formula
- C5H5N5O
- Molar mass
- 151.13 g·mol−1
- Exact mass
- 151.0494 Da
- 6
- 3
- 3
- 96.20 Ų
- -1.1 (PubChem computed XLogP3-AA descriptor)
- CAS
- 73-40-5
- PubChem CID
- 135398634
Molecule record
guanine
C5H5N5O
151.13 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
Amide
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
- 2-Amino-1,7-dihydro-6H-purin-6-one
- 2-Amino-6-hydroxypurine
- 2-Aminohypoxanthine
- 2-amino-1,7-dihydropurin-6-one
- 2-amino-3,7-dihydropurin-6-one
- 6-Hydroxy-2-aminopurine
- 6H-Purin-6-one, 2-amino-1,7-dihydro-
- 73-40-5
Show all 23 synonyms
- C.I. 75170
- C.I. Natural White 1
- CI 75170
- CI Natural white 1
- DTXSID9052476
- Dew Pearl
- Guanin
- Guanine enol
- Hypoxanthine, 2-amino-
- Mearlmaid
- Natural pearl essence
- Natural white 1
- Naturon
- Pearl essence
- Stella Polaris
Structure identifiers
- Canonical SMILES
- C1=NC2=C(N1)C(=O)NC(=N2)N
- Isomeric SMILES
- C1=NC2=C(N1)C(=O)NC(=N2)N
- InChI
- InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
- InChIKey
- UYTPUPDQBNUYGX-UHFFFAOYSA-N
- PubChem CID
- 135398634
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)
1660 cm−1amide C=O (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 guanine; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for guanine; 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.