ChemSpider 2D Image | 8-demethyl-8-(methylamino)riboflavin | C17H21N5O6

8-demethyl-8-(methylamino)riboflavin

  • Molecular FormulaC17H21N5O6
  • Average mass391.379 Da
  • Monoisotopic mass391.149170 Da
  • ChemSpider ID64808337

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Deoxy-1-[7-methyl-8-(methylamino)-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol [ACD/IUPAC Name]
1-Desoxy-1-[7-methyl-8-(methylamino)-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol [German] [ACD/IUPAC Name]
1-Désoxy-1-[7-méthyl-8-(méthylamino)-2,4-dioxo-3,4-dihydrobenzo[g]ptéridin-10(2H)-yl]-D-ribitol [French] [ACD/IUPAC Name]
62746-55-8 [RN]
8-demethyl-8-(methylamino)riboflavin
D-Ribitol, 1-deoxy-1-[3,4-dihydro-7-methyl-8-(methylamino)-2,4-dioxobenzo[g]pteridin-10(2H)-yl]- [ACD/Index Name]
8-demethyl-8-methylaminoriboflavin
8-Methylaminoriboflavin
8-Methylamino-riboflavin
  • Miscellaneous

    • Chemical Class:

      A benzopteridine that is riboflavin in which the methyl group at position 8 has been replaced by a methylamino group. ChEBI CHEBI:137340

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.745
Molar Refractivity: 94.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.10
ACD/LogD (pH 5.5): -1.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.94
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.92
Polar Surface Area: 167 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 72.9±7.0 dyne/cm
Molar Volume: 232.2±7.0 cm3

Click to predict properties on the Chemicalize site


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