ChemSpider 2D Image | Adenosine, 5'-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-4-[[3-[[2-[[(9Z,12R,15Z)-12-hydroxy-1-oxo-9,15-octadecadien-1-yl]thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphinyl]oxy]phosphiny l]-, 3'-(dihydrogen phosphate), ion(4-) | C39H62N7O18P3S

Adenosine, 5'-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-4-[[3-[[2-[[(9Z,12R,15Z)-12-hydroxy-1-oxo-9,15-octadecadien-1-yl]thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphinyl]oxy]phosphiny l]-, 3'-(dihydrogen phosphate), ion(4-)

  • Molecular FormulaC39H62N7O18P3S
  • Average mass1041.934 Da
  • Monoisotopic mass1041.310669 Da
  • ChemSpider ID128921072

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    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-[[(9Z,12R,15Z)-12-hydroxy-1-oxo-9,15-octadecadien-1-yl]thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphinyl]oxy]phosphiny l]-, 3'-(dihydrogen phosphate), ion(4-) [ACD/Index Name]
densipoloyl-CoA

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: 25
#H bond donors: 11
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 3
ACD/LogP: 1.53
ACD/LogD (pH 5.5): -6.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.88
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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