ChemSpider 2D Image | Adenosine, 5'-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[1-oxo-4-[(1S,2S)-3-oxo-2-[(2Z)-2-penten-1-yl]cyclopentyl]butyl]thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy ]phosphinyl]-, 3'-(dihydrogen phosphate), ion(4-) | C35H52N7O18P3S

Adenosine, 5'-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[1-oxo-4-[(1S,2S)-3-oxo-2-[(2Z)-2-penten-1-yl]cyclopentyl]butyl]thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy ]phosphinyl]-, 3'-(dihydrogen phosphate), ion(4-)

  • Molecular FormulaC35H52N7O18P3S
  • Average mass983.812 Da
  • Monoisotopic mass983.232422 Da
  • ChemSpider ID128920705

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

Adenosine, 5'-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[1-oxo-4-[(1S,2S)-3-oxo-2-[(2Z)-2-penten-1-yl]cyclopentyl]butyl]thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy ]phosphinyl]-, 3'-(dihydrogen phosphate), ion(4-) [ACD/Index Name]
OPC4-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: 10
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: -1.22
ACD/LogD (pH 5.5): -8.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 447 Å2
Polarizability:
Surface Tension:
Molar Volume:

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