ChemSpider 2D Image | 9-[5-O-{[({3-Hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(palmitoylsulfanyl)ethyl]ammonio}propyl)amino]butoxy}phosphinato)oxy]phosphinato}-3-O-(hydroxyphosphinato)pentofuranosyl]-9H-purin-6-amine | C37H64N7O17P3S

9-[5-O-{[({3-Hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(palmitoylsulfanyl)ethyl]ammonio}propyl)amino]butoxy}phosphinato)oxy]phosphinato}-3-O-(hydroxyphosphinato)pentofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC37H64N7O17P3S
  • Average mass1003.928 Da
  • Monoisotopic mass1003.330322 Da
  • ChemSpider ID21239002
  • Charge - Charge


More details:






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

9-[5-O-{[({3-Hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(palmitoylsulfanyl)ethyl]ammonio}propyl)amino]butoxy}phosphinato)oxy]phosphinato}-3-O-(hydroxyphosphinato)pentofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-[5-O-{[({3-Hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(palmitoylsulfanyl)ethyl]ammonio}propyl)amino]butoxy}phosphinato)oxy]phosphinato}-3-O-(hydroxyphosphinato)pentofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
9-[5-O-{[({3-Hydroxy-2,2-diméthyl-4-oxo-4-[(3-oxo-3-{[2-(palmitoylsulfanyl)éthyl]ammonio}propyl)amino]butoxy}phosphinato)oxy]phosphinato}-3-O-(hydroxyphosphinato)pentofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[[[[3,4-dihydroxy-4-[[3-hydroxy-3-[[2-[(1-oxohexadecyl)thio]ethyl]imino]propyl]imino]-2,2-dimethylbutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-3-O-phosphonopentofuranosyl]- , inner salt, ion(2-) [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 1141.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 176.3±3.0 kJ/mol
Flash Point: 644.2±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 24
#H bond donors: 10
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 3
ACD/LogP: 5.00
ACD/LogD (pH 5.5): -3.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 435 Å2
Polarizability:
Surface Tension:
Molar Volume:

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