ChemSpider 2D Image | 9H-Purin-6-amine, 9-[5-O-[hydroxy[[hydroxy[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(2E,6S)-2,6,10-trimethyl-1-oxo-2-undecen-1-yl]thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy]phosphinyl]- 3-O-phosphono-beta-D-lyxofuranosyl]-, ion(4-) | C35H56N7O17P3S

9H-Purin-6-amine, 9-[5-O-[hydroxy[[hydroxy[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(2E,6S)-2,6,10-trimethyl-1-oxo-2-undecen-1-yl]thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy]phosphinyl]- 3-O-phosphono-β-D-lyxofuranosyl]-, ion(4-)

  • Molecular FormulaC35H56N7O17P3S
  • Average mass971.844 Da
  • Monoisotopic mass971.268799 Da
  • ChemSpider ID35031878

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

9H-Purin-6-amine, 9-[5-O-[hydroxy[[hydroxy[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(2E,6S)-2,6,10-trimethyl-1-oxo-2-undecen-1-yl]thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy]phosphinyl]- ;3-O-phosphono-β-D-lyxofuranosyl]-, ion(4-) [ACD/Index Name]
(2,6R,10)-trimethyl-(2E)-undecenoyl-CoA
(2,6R,10)-trimethyl-(2E)-undecenoyl-Coenzyme A
(2E,6R)-2,6,10-trimethylhendecenoyl-CoA
(2E,6R)-2,6,10-trimethylhendecenoyl-Coenzyme A
(2E,6R)-2,6,10-trimethylundecanoyl-CoA
(2E,6R)-2,6,10-trimethylundecanoyl-Coenzyme A
(2S,6R,10R)-Trimethyl-2E-hendecenoyl-CoA
(6R)-trimethyl-trans-2-hendecenoyl-CoA
(6R)-trimethyl-trans-2-hendecenoyl-Coenzyme A
More...

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: 24
#H bond donors: 10
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 3
ACD/LogP: 1.95
ACD/LogD (pH 5.5): -6.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 430 Å2
Polarizability:
Surface Tension:
Molar Volume:

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