ChemSpider 2D Image | 4a,5-dihydroriboflavin | C17H22N4O6

4a,5-dihydroriboflavin

  • Molecular FormulaC17H22N4O6
  • Average mass378.380 Da
  • Monoisotopic mass378.153931 Da
  • ChemSpider ID26333222

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

101652-10-2 [RN]
1-Deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol [ACD/IUPAC Name]
1-Desoxy-1-(7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol [German] [ACD/IUPAC Name]
1-Désoxy-1-(7,8-diméthyl-2,4-dioxo-3,4,4a,5-tétrahydrobenzo[g]ptéridin-10(2H)-yl)-D-ribitol [French] [ACD/IUPAC Name]
4a,5-dihydroriboflavin
D-Ribitol, 1-deoxy-1-(3,4,4a,5-tetrahydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)- [ACD/Index Name]
1-deoxy-1-{7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-D-ribitol
4a,5-dihydroriboflavine
4a,5-dihydroriboflavine|7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-4a,5-dihydroisoalloxazine|7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-5,10-dihydrobenzo[g]pteridine-2,4(3H,4aH)-dione
7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-4a,5-dihydroisoalloxazine
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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: 1.733
Molar Refractivity: 91.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.33
ACD/LogD (pH 5.5): -2.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 70.3±7.0 dyne/cm
Molar Volume: 227.5±7.0 cm3

Click to predict properties on the Chemicalize site


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