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Search term: WWEOGFZEFHPUAM-UQCJFRAESA-J (Found by InChIKey (full match))

ChemSpider 2D Image | Adenosine, 5'-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-4-[[3-[[2-[[(2S)-3-hydroxy-2-methyl-1-oxopropyl]thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphinyl]oxy]phosphinyl]-, 3'-(dihydrog
en phosphate), ion(4-) | C25H38N7O18P3S

Adenosine, 5'-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-4-[[3-[[2-[[(2S)-3-hydroxy-2-methyl-1-oxopropyl]thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphinyl]oxy]phosphinyl]-, 3'-(dihydrog en phosphate), ion(4-)

  • Molecular FormulaC25H38N7O18P3S
  • Average mass849.594 Da
  • Monoisotopic mass849.122864 Da
  • ChemSpider ID26332788
  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

Adenosine, 5'-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-4-[[3-[[2-[[(2S)-3-hydroxy-2-methyl-1-oxopropyl]thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphinyl]oxy]phosphinyl]-, 3'-(dihydrog en phosphate), ion(4-) [ACD/Index Name]
(S)-3-hydroxy-2-methylpropanoyl-coenzyme A(4-)
(S)-3-hydroxybutanoyl-CoA
(S)-3-hydroxyisobutanoyl-CoA(4-)
(S)-3-Hydroxyisobutyryl-CoA
(S)-3-hydroxyisobutyryl-CoA(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2S)-3-hydroxy-2-methylpropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}

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: 25
#H bond donors: 11
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -4.18
ACD/LogD (pH 5.5): -10.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 450 Å2
Polarizability:
Surface Tension:
Molar Volume:

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