ChemSpider 2D Image | 1-Deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-2H-benzo[g]pteridin-3-id-10(4H)-yl]-D-ribitol | C18H22N5O6

1-Deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-2H-benzo[g]pteridin-3-id-10(4H)-yl]-D-ribitol

  • Molecular FormulaC18H22N5O6
  • Average mass404.398 Da
  • Monoisotopic mass404.157562 Da
  • ChemSpider ID128919807

  • Charge - Charge

    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-2H-benzo[g]pteridin-3-id-10(4H)-yl]-D-ribitol [ACD/IUPAC Name]
1-Desoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-2H-benzo[g]pteridin-3-id-10(4H)-yl]-D-ribitol [German] [ACD/IUPAC Name]
1-Désoxy-1-[8-(diméthylamino)-7-méthyl-2,4-dioxo-2H-benzo[g]ptéridin-3-id-10(4H)-yl]-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-deoxy-1-[8-(dimethylamino)-3,4-dihydro-7-methyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl]-, ion(1-) [ACD/Index Name]
Roseoflavin
roseoflavin(1-)
  • Miscellaneous

    • Chemical Class:

      An organic anion that is the conjugate base of roseoflavin, obtained by removal of the imide proton at position 3. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:136521

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#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: 146 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement