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Molecule record

riboflavin

C17H20N4O6

376.40 g/mol

2D structure for riboflavin

Molecular properties

Formula
C17H20N4O6
Molar mass
376.40 g·mol−1
Exact mass
376.1383 Da
10
5
7
155.00 Ų
-1.5 (PubChem computed XLogP3-AA descriptor)
CAS
83-88-5
PubChem CID
493570

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
Alkene
Amide
Amine
Aromatic ring
Phenol

Physical properties

PropertyValueConditionsSource
Logp-1.5PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 83-88-5
  • Beflavin
  • Beflavine
  • Flavaxin
  • Flavin BB
  • Flaxain
  • Lactobene
  • Lactoflavin
Show all 23 synonyms
  • Lactoflavine
  • Ribipca
  • Ribocrisina
  • Riboderm
  • Riboflavina
  • Riboflavine
  • Riboflavinum
  • Ribosyn
  • Ribotone
  • Ribovel
  • Russupteridine Yellow III
  • Vitaflavine
  • Vitamin Bi
  • Vitamin G
  • vitamin B2

Structure identifiers

Canonical SMILES
CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O
Isomeric SMILES
CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
InChIKey
AUNGANRZJHBGPY-SCRDCRAPSA-N
PubChem CID
493570

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

3350 cm−1broad O-H (simulated)
1660 cm−1amide C=O (simulated)
1645 cm−1C=C alkene (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 riboflavin; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for riboflavin; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record