4-hydroxy-7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)-2H,10H-benzo[g]pteridin-2-one

• ChemBase ID: 105844
• Molecular Formular: C17H20N4O6
• Molecular Mass: 376.3639
• Monoisotopic Mass: 376.13828438
• SMILES: Cc1cc2c(cc1C)n(CC(O)C(O)C(O)CO)c1nc(=O)nc(O)c1n2
• Canonical SMILES: OCC(C(C(Cn1c2cc(C)c(cc2nc2c1nc(=O)nc2O)C)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)
• InChIKey: AUNGANRZJHBGPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxy-7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)-2H,10H-benzo[g]pteridin-2-one
• IUPAC Traditional name: 4-hydroxy-7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridin-2-one
• Synonyms: Vitamin B₂; Lactoflavin; Vitamin G; RIBOFLAVIN

Database IDs

• CAS Number: 83-88-5
• EC Number: 201-507-1
• PubChem SID: 162094215
• PubChem CID: 1072

CALCULATED PROPERTIES

• Acid pKa: 6.107119
• H Acceptors: 10
• H Donor: 5
• LogD (pH = 5.5): -0.7586639
• LogD (pH = 7.4): -2.2443652
• Log P: -0.5490395
• Molar Refractivity: 96.590096 cm^3
• Polarizability: 35.44932 Å^3
• Polar Surface Area: 158.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 282°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: VJ1400000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39

Product Information

• Purity: >98%; 98%

DETAILS

MP Biomedicals - 04800033

Purity: >98%
Photoinitiator for polymerization of polyacrylamide gels. Causes less denaturing than other initiators. Gel strength can be improved when used with PTO.

MP Biomedicals - 04800029

Purity: >98%
Photoinitiator for polymerization of polyacrylamide gels. Causes less denaturing than other initiators. Gel strength can be improved when used with PTO.

MP Biomedicals - 02194735

Cell Culture Reagent
Crystalline
Purity: 98%