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)-1-oxo-8-[3-oxo-2-[(2E)-2-penten-1-yl]cyclopentyl]-2-octen-1-yl]thio]ethyl]amino]propyl]amino]butoxy]phosp hinyl]oxy]phosphinyl]-3-O-phosphonopentofuranosyl]-, ion(4-) | C39H58N7O18P3S

9H-Purin-6-amine, 9-[5-O-[hydroxy[[hydroxy[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(2E)-1-oxo-8-[3-oxo-2-[(2E)-2-penten-1-yl]cyclopentyl]-2-octen-1-yl]thio]ethyl]amino]propyl]amino]butoxy]phosp hinyl]oxy]phosphinyl]-3-O-phosphonopentofuranosyl]-, ion(4-)

  • Molecular FormulaC39H58N7O18P3S
  • Average mass1037.902 Da
  • Monoisotopic mass1037.279419 Da
  • ChemSpider ID24784965

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

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)-1-oxo-8-[3-oxo-2-[(2E)-2-penten-1-yl]cyclopentyl]-2-octen-1-yl]thio]ethyl]amino]propyl]amino]butoxy]phosp hinyl]oxy]phosphinyl]-3-O-phosphonopentofuranosyl]-, ion(4-) [ACD/Index Name]
OPC8-trans-2-enoyl-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: 30
#Rule of 5 Violations: 3
ACD/LogP: 0.72
ACD/LogD (pH 5.5): -7.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.00
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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