ChemSpider 2D Image | molybdopterin adenine dinucleotide | C20H26N10O12P2S2

molybdopterin adenine dinucleotide

  • Molecular FormulaC20H26N10O12P2S2
  • Average mass724.558 Da
  • Monoisotopic mass724.064819 Da
  • ChemSpider ID26332851

  • 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-6,7-disulfanyl-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[{[{[(5aR,8R,9aR)-2-Amino-4-oxo-6,7-disulfanyl-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[{[{[(5aR,8R,9aR)-2-Amino-4-oxo-6,7-disulfanyl-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]ptéridin-8-yl]méthoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[[(5aR,8R,9aR)-2-amino-1,5,5a,8,9a,10-hexahydro-6,7-dimercapto-4-oxo-4H-pyrano[3,2-g]pteridin-8-yl]methoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
molybdopterin adenine dinucleotide
[(5aR,8R,9aR)-4-hydroxy-2-imino-6,7-disulfanyl-1H,5H,5aH,8H,9aH,10H-pyrano[3,2-g]pteridin-8-yl]methoxy({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)phosphinic acid
adenylated molybdopterin
adenylyl-molybdopterin
MPT-AMP

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

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

Density: 2.5±0.1 g/cm3
Boiling Point: 1070.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.4±3.0 kJ/mol
Flash Point: 601.4±37.1 °C
Index of Refraction: 2.044
Molar Refractivity: 149.9±0.5 cm3
#H bond acceptors: 22
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.54
ACD/LogD (pH 5.5): -5.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 420 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 151.6±7.0 dyne/cm
Molar Volume: 291.3±7.0 cm3

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