ChemSpider 2D Image | 9-[5-O-({[(3-Hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3,7,12-trihydroxy-26-oxocholest-24-en-26-yl)sulfanyl]ethyl}ammonio)propyl]amino}butoxy)phosphinato]oxy}phosphinato)-3-O-(hydroxyphosphinato)pe ntofuranosyl]-9H-purin-6-amine | C48H76N7O20P3S

9-[5-O-({[(3-Hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3,7,12-trihydroxy-26-oxocholest-24-en-26-yl)sulfanyl]ethyl}ammonio)propyl]amino}butoxy)phosphinato]oxy}phosphinato)-3-O-(hydroxyphosphinato)pe ntofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC48H76N7O20P3S
  • Average mass1196.139 Da
  • Monoisotopic mass1195.408936 Da
  • ChemSpider ID21239169

  • 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-[(3,7,12-trihydroxy-26-oxocholest-24-en-26-yl)sulfanyl]ethyl}ammonio)propyl]amino}butoxy)phosphinato]oxy}phosphinato)-3-O-(hydroxyphosphinato)pe ntofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-[5-O-({[(3-Hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3,7,12-trihydroxy-26-oxocholest-24-en-26-yl)sulfanyl]ethyl}ammonio)propyl]amino}butoxy)phosphinato]oxy}phosphinato)-3-O-(hydroxyphosphinato)pe ntofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
9-[5-O-({[(3-Hydroxy-2,2-diméthyl-4-oxo-4-{[3-oxo-3-({2-[(3,7,12-trihydroxy-26-oxocholest-24-én-26-yl)sulfanyl]éthyl}ammonio)propyl]amino}butoxy)phosphinato]oxy}phosphinato)-3-O-(hydroxyphosphinato)pe ntofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[[[[3,4-dihydroxy-4-[[3-hydroxy-3-[[2-[(3,7,12-trihydroxy-26-oxocholest-24-en-26-yl)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, version: 14.00

Density:
Boiling Point: 1295.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 203.4±3.0 kJ/mol
Flash Point: 737.0±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 27
#H bond donors: 13
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: 1.89
ACD/LogD (pH 5.5): -6.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 496 Å2
Polarizability:
Surface Tension:
Molar Volume:

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