ChemSpider 2D Image | {5'-O-[{[{[(5aR,8R,9aR)-2-Amino-4-hydroxy-6,7-di(sulfanyl-kappaS)-5a,8,9a,10-tetrahydro-5H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidinato(2-)}(aqua)oxido(oxo
)molybdenum | C19H26MoN8O16P2S2

{5'-O-[{[{[(5aR,8R,9aR)-2-Amino-4-hydroxy-6,7-di(sulfanyl-κS)-5a,8,9a,10-tetrahydro-5H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidinato(2-)}(aqua)oxido(oxo )molybdenum

  • Molecular FormulaC19H26MoN8O16P2S2
  • Average mass844.471 Da
  • Monoisotopic mass845.943726 Da
  • ChemSpider ID64873331
  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres


More details:






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

{5'-O-[{[{[(5aR,8R,9aR)-2-Amino-4-hydroxy-6,7-di(sulfanyl-κS)-5a,8,9a,10-tetrahydro-5H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidinato(2-)}(aqua)oxido(oxo )molybdenum [ACD/IUPAC Name]
{5'-O-[{[{[(5aR,8R,9aR)-2-Amino-4-hydroxy-6,7-di(sulfanyl-κS)-5a,8,9a,10-tétrahydro-5H-pyrano[3,2-g]ptéridin-8-yl]méthoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidinato(2-)}(aqua)oxo(oxydo )molybdène [French] [ACD/IUPAC Name]
Molybdenum, [cytidinato(2-), 5'-O-[[[[[(5aR,8R,9aR)-2-amino-5a,8,9a,10-tetrahydro-4-hydroxy-6,7-di(mercapto-κS)-5H-pyrano[3,2-g]pteridin-8-yl]methoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-]aqua olatooxo- [ACD/Index Name]
872689-63-9 [RN]
Molybdenum cofactor

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: 24
#H bond donors: 14
#Freely Rotating Bonds: 12
#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: 426 Å2
Polarizability:
Surface Tension:
Molar Volume:

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