ChemSpider 2D Image | prenyl-FMNH2 | C22H31N4O9P

prenyl-FMNH2

  • Molecular FormulaC22H31N4O9P
  • Average mass526.477 Da
  • Monoisotopic mass526.182861 Da
  • ChemSpider ID58145588

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1-Deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,9,10,11,11a-hexahydro-1H,7H-quinolino[1,8-fg]pteridin-7-yl)-D-ribitol [ACD/IUPAC Name]
1-Desoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,9,10,11,11a-hexahydro-1H,7H-chinolino[1,8-fg]pteridin-7-yl)-D-ribitol [German] [ACD/IUPAC Name]
1-Désoxy-5-O-phosphono-1-(3,3,4,5-tétraméthyl-9,11-dioxo-2,3,9,10,11,11a-hexahydro-1H,7H-quinoléino[1,8-fg]ptéridin-7-yl)-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-deoxy-1-(2,3,9,10,11,11a-hexahydro-3,3,4,5-tetramethyl-9,11-dioxo-1H,7H-quino[1,8-fg]pteridin-7-yl)-, 5-(dihydrogen phosphate) [ACD/Index Name]
prenyl-FMNH2
prenylated FMNH2
prenylated reduced flavin mononucleotide
  • Miscellaneous

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: 1.721
Molar Refractivity: 122.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -4.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 75.3±7.0 dyne/cm
Molar Volume: 310.3±7.0 cm3

Click to predict properties on the Chemicalize site


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