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Search term: XJXFAXLUOKQPAQ-YPRLVJTJSA-K (Found by InChIKey (full match))

ChemSpider 2D Image | 5'-O-{[({[(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]methoxy}phosphinato)oxy]phosphinato}adenosine | C20H23N10O12P2S2

5'-O-{[({[(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]methoxy}phosphinato)oxy]phosphinato}adenosine

  • Molecular FormulaC20H23N10O12P2S2
  • Average mass721.536 Da
  • Monoisotopic mass721.042969 Da
  • ChemSpider ID26332850
  • 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-oxo-6-sulfanyl-7-sulfido-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}phosphinato)oxy]phosphinato}adenosin [German] [ACD/IUPAC Name]
5'-O-{[({[(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]methoxy}phosphinato)oxy]phosphinato}adenosine [ACD/IUPAC Name]
5'-O-{[({[(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]méthoxy}phosphinato)oxy]phosphinato}adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[[(5aR,8R,9aR)-2-amino-3,5,5a,8,9a,10-hexahydro-6,7-dimercapto-4-oxo-4H-pyrano[3,2-g]pteridin-8-yl]methoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, ion(3-) [ACD/Index Name]
adenylated molybdopterin(3-)
adenylyl-molybdopterin
adenylyl-molybdopterin(3-)
molybdopterin adenine dinucleotide
molybdopterin adenine dinucleotide(3-)
MPT-AMP(3-)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 22
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -5.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 386 Å2
Polarizability:
Surface Tension:
Molar Volume:

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