ChemSpider 2D Image | 9-[5-O-({[(3-Hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxohexadecanoyl)sulfanyl]ethyl}ammonio)propyl]amino}butoxy)phosphinato]oxy}phosphinato)-3-O-(hydroxyphosphinato)pentofuranosyl]-9H-purin-6-a mine | C37H62N7O18P3S

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

  • Molecular FormulaC37H62N7O18P3S
  • Average mass1017.912 Da
  • Monoisotopic mass1017.309570 Da
  • ChemSpider ID21233845

  • 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-oxohexadecanoyl)sulfanyl]ethyl}ammonio)propyl]amino}butoxy)phosphinato]oxy}phosphinato)-3-O-(hydroxyphosphinato)pentofuranosyl]-9H-purin-6-a min [German] [ACD/IUPAC Name]
9-[5-O-({[(3-Hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxohexadecanoyl)sulfanyl]ethyl}ammonio)propyl]amino}butoxy)phosphinato]oxy}phosphinato)-3-O-(hydroxyphosphinato)pentofuranosyl]-9H-purin-6-a mine [ACD/IUPAC Name]
9-[5-O-({[(3-Hydroxy-2,2-diméthyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxohexadecanoyl)sulfanyl]éthyl}ammonio)propyl]amino}butoxy)phosphinato]oxy}phosphinato)-3-O-(hydroxyphosphinato)pentofuranosyl]-9H-purin-6-a mine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[[[[4-[[3-[[2-[(1,3-dioxohexadecyl)thio]ethyl]imino]-3-hydroxypropyl]imino]-3,4-dihydroxy-2,2-dimethylbutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-3-O-phosphonopentofuranos yl]-, 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: 1162.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 180.0±3.0 kJ/mol
Flash Point: 657.1±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 25
#H bond donors: 10
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 3
ACD/LogP: 3.70
ACD/LogD (pH 5.5): -4.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 453 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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