ChemSpider 2D Image | 1-Deoxy-5-O-phosphonato-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 | C22H29N4O9P

1-Deoxy-5-O-phosphonato-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

  • Molecular FormulaC22H29N4O9P
  • Average mass524.462 Da
  • Monoisotopic mass524.168335 Da
  • ChemSpider ID58145580

  • Charge - Charge

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1-Deoxy-5-O-phosphonato-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-phosphonato-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-phosphonato-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), ion(2-) [ACD/Index Name]
prenylated FMNH2
prenylated reduced flavin mononucleotide
prenyl-FMNH2
prenyl-FMNH2(2-)
prFMNH2
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of prenyl-FMNH2; major species at pH 7.3. ChEBI CHEBI:87467

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: 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: 208 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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