ChemSpider 2D Image | [(5aR,8R,9aR)-2-Amino-4-oxo-6-sulfanyl-7-sulfido-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl phosphate | C10H11N5O6PS2

[(5aR,8R,9aR)-2-Amino-4-oxo-6-sulfanyl-7-sulfido-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl phosphate

  • Molecular FormulaC10H11N5O6PS2
  • Average mass392.330 Da
  • Monoisotopic mass391.990479 Da
  • ChemSpider ID26331310
  • 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-sulfanyl-7-sulfido-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl phosphate [ACD/IUPAC Name]
[(5aR,8R,9aR)-2-Amino-4-oxo-6-sulfanyl-7-sulfido-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methylphosphat [German] [ACD/IUPAC Name]
4H-Pyrano[3,2-g]pteridin-4-one, 2-amino-3,5,5a,8,9a,10-hexahydro-6,7-dimercapto-8-[(phosphonooxy)methyl]-, ion(3-), (5aR,8R,9aR)- [ACD/Index Name]
Phosphate de [(5aR,8R,9aR)-2-amino-4-oxo-6-sulfanyl-7-sulfydo-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]ptéridin-8-yl]méthyle [French] [ACD/IUPAC Name]
[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogen phosphate [ACD/IUPAC Name]
ene-dithiol pyranopterin
molybdopterin [Wiki]
  • Miscellaneous
    • Chemical Class:

      The trianion of molybdopterin obtained by deprotonation of the phosphate and 7-SH groups; major species at pH 7.3. ChEBI CHEBI:58698

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

Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.09
ACD/LogD (pH 5.5): -2.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 222 Å2
Surface Tension:
Molar Volume:

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