Riboflavin

Catalog Number

ACM83885

CAS

83-88-5

Structure

Synonyms

6,7-Dimethyl-9-ribitylisoalloxazine

IUPAC Name

7,8-Dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione

Molecular Weight

376.36

Molecular Formula

C17H20N4O6

Canonical SMILES

CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(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

InChI Key

AUNGANRZJHBGPY-SCRDCRAPSA-N

Boiling Point

504.93 °C

Melting Point

290 °C(lit.)

Flash Point

9 °C

Purity

99%

Density

1.2112 g/cm³

Solubility

Slightly soluble in alcohols, insoluble in lipid solvents

Appearance

Yellow to orange powder

Storage

2-8 °C

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

pKa

1.7(at 25 °C)

• Catalog Number: ACM83885
• CAS: 83-88-5
• Synonyms: 6,7-Dimethyl-9-ribitylisoalloxazine
• IUPAC Name: 7,8-Dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
• Molecular Weight: 376.36
• Molecular Formula: C17H20N4O6
• Canonical SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(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
• InChI Key: AUNGANRZJHBGPY-SCRDCRAPSA-N
• Boiling Point: 504.93 °C
• Melting Point: 290 °C(lit.)
• Flash Point: 9 °C
• Purity: 99%
• Density: 1.2112 g/cm³
• Solubility: Slightly soluble in alcohols, insoluble in lipid solvents
• Appearance: Yellow to orange powder
• Storage: 2-8 °C
• 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
• pKa: 1.7(at 25 °C)