ChemSpider 2D Image | Roseoflavin | C18H23N5O6

Roseoflavin

  • Molecular FormulaC18H23N5O6
  • Average mass405.405 Da
  • Monoisotopic mass405.164825 Da
  • ChemSpider ID25060405

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-Deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol [ACD/IUPAC Name]
1-Desoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol [German] [ACD/IUPAC Name]
1-Désoxy-1-[8-(diméthylamino)-7-méthyl-2,4-dioxo-3,4-dihydrobenzo[g]ptéridin-10(2H)-yl]-D-ribitol [French] [ACD/IUPAC Name]
51093-55-1 [RN]
8-(dimethylamino)-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione
8-demethyl-8-(dimethylamino)riboflavin
8-demethyl-8-(dimethylamino)-riboflavin
D-Ribitol, 1-deoxy-1-[8-(dimethylamino)-3,4-dihydro-7-methyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl]- [ACD/Index Name]
Roseoflavin
8-(dimethylamino)-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
More...
  • Miscellaneous

    • Chemical Class:

      A benzopteridine that is riboflavin in which the methyl group at position 8 is substituted by a dimethylamino group. ChEBI CHEBI:72346

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.714
Molar Refractivity: 99.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.37
ACD/LogD (pH 5.5): -1.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.63
ACD/LogD (pH 7.4): -1.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.61
Polar Surface Area: 158 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 66.6±7.0 dyne/cm
Molar Volume: 253.5±7.0 cm3

Click to predict properties on the Chemicalize site


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