ChemSpider 2D Image | 6-Hydroxy-fad | C27H33N9O16P2

6-Hydroxy-fad

  • Molecular FormulaC27H33N9O16P2
  • Average mass801.549 Da
  • Monoisotopic mass801.152039 Da
  • ChemSpider ID16743795

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-(6-hydroxy-7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentyl dihydroge n diphosphate [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2R,3S,4S)-2,3,4-trihydroxy-5-(6-hydroxy-7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentyldihydrogen diphosphat [German] [ACD/IUPAC Name]
6-Hydroxy-fad
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (2R,3S,4S)-2,3,4-trihydroxy-5-(6-hydroxy-7,8-diméthyl-2,4-dioxo-3,4-dihydrobenzo[g]pt éridin-10(2H)-yl)pentyle [French] [ACD/IUPAC Name]
[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4S)-2,3,4-trihydroxy-5-{6-hydroxy-7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}pentyl]oxy})phosphinic acid
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-(6-hydroxy-7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentyl dihydrogen diphosphateadenosine 5'-(trihydrogen diphosphate) 5'->5'-ester with 6-hydroxyriboflavin
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy({hydroxy[(2R,3S,4S)-2,3,4-trihydroxy-5-{6-hydroxy-7,8-dimethyl-2,4-dioxo-3H-benzo[g]pteridin-10-yl}pentyl]oxyphosphoryl}oxy)phosphinic acid
52301-43-6 [RN]
6-HO-FAD
6-Hydroxy flavin adenine dinucleotide
More...

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

  • Miscellaneous

    • Chemical Class:

      Flavin-adenine dinucleotide (FAD) in which the hydrogen at position 6 of the benzo[<ital>g</ital>]pteridinedione moiety is substituted by a hydroxy group. ChEBI CHEBI:40260
      Flavin-adenine dinucleotide (FAD) in which the hydrogen at position 6 of the benzo[g]pteridinedione moiety is substituted by a hydroxy group. ChEBI CHEBI:40260

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.865
Molar Refractivity: 169.0±0.5 cm3
#H bond acceptors: 25
#H bond donors: 11
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -3.66
ACD/LogD (pH 5.5): -8.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 396 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 120.1±7.0 dyne/cm
Molar Volume: 373.4±7.0 cm3

Click to predict properties on the Chemicalize site


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