ChemSpider 2D Image | {[(5aR,8R,9aR)-2-Amino-4-oxo-6,7-di(sulfanyl-kappaS)-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(dioxo)molybdenum | C10H12MoN5O8PS2

{[(5aR,8R,9aR)-2-Amino-4-oxo-6,7-di(sulfanyl-κS)-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(dioxo)molybdenum

  • Molecular FormulaC10H12MoN5O8PS2
  • Average mass521.275 Da
  • Monoisotopic mass522.891907 Da
  • ChemSpider ID28533522

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{[(5aR,8R,9aR)-2-Amino-4-oxo-6,7-di(sulfanyl-κS)-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(dioxo)molybdenum [ACD/IUPAC Name]
{[(5aR,8R,9aR)-2-Amino-4-oxo-6,7-di(sulfanyl-κS)-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyldihydrogenato(2-)phosphat}(dioxo)molybdaen [German] [ACD/IUPAC Name]
{Dihydrogèneato(2-)phosphate de [(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-κS)-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]ptéridin-8-yl]méthyle}(dioxo)molybdène [French] [ACD/IUPAC Name]
Molybdenum, [(5aR,8R,9aR)-2-amino-1,5,5a,8,9a,10-hexahydro-6,7-di(mercapto-κS)-8-[(phosphonooxy)methyl]-4H-pyrano[3,2-g]pteridin-4-onato(2-)]dioxo- [ACD/Index Name]
MoCo (dioxyo)
Molybdenum cofactor
molybdenum cofactor (dioxyo)
MoO2(OH)Dtpp-mP
MoO2-molybdopterin cofactor
  • Miscellaneous

    • Chemical Class:

      An Mo-molybdopterin cofactor in which the coordinated molybdenum species is MoO<smallsub>2</smallsub>. ChEBI CHEBI:71306
      An Mo-molybdopterin cofactor in which the coordinated molybdenum species is MoO2. ChEBI CHEBI:71306

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: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 262 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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