ChemSpider 2D Image | {[2-Amino-4-oxo-6,7-di(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(dioxo)sulfanylmolybdenum | C10H13MoN5O8PS3

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

  • Molecular FormulaC10H13MoN5O8PS3
  • Average mass554.348 Da
  • Monoisotopic mass555.871765 Da
  • ChemSpider ID58829629

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{[2-Amino-4-oxo-6,7-di(sulfanyl-κS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(dioxo)sulfanylmolybdenum [ACD/IUPAC Name]
{[2-Amino-4-oxo-6,7-di(sulfanyl-κS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyldihydrogenato(2-)phosphat}(dioxo)sulfanylmolybdaen [German] [ACD/IUPAC Name]
{Dihydrogèneato(2-)phosphate de [2-amino-4-oxo-6,7-di(sulfanyl-κS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]ptéridin-8-yl]méthyle}(dioxo)sulfanylmolybdène [French] [ACD/IUPAC Name]
Molybdenum, [2-amino-3,5,5a,8,9a,10-hexahydro-6,7-di(mercapto-κS)-8-[(phosphonooxy)methyl]-4H-pyrano[3,2-g]pteridin-4-onato(2-)]mercaptodioxo- [ACD/Index Name]
(MOLYBDOPTERIN-S,S)-DIOXO-THIO-MOLYBDENUM(V)

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: 301 Å2
Polarizability:
Surface Tension:
Molar Volume:

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