ChemSpider 2D Image | 9-{5-O-[({[3-Hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)ammonio]propyl}amino)butoxy]phosphinato}oxy)phosphinato]-3-O-(hydroxyphosphinato)pentofuranosyl}-9H-purin-6-amine | C21H34N7O16P3S

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

  • Molecular FormulaC21H34N7O16P3S
  • Average mass765.519 Da
  • Monoisotopic mass765.100647 Da
  • ChemSpider ID21238868

  • 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-sulfanylethyl)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-sulfanylethyl)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-sulfanyléthyl)ammonio]propyl}amino)butoxy]phosphinato}oxy)phosphinato]-3-O-(hydroxyphosphinato)pentofuranosyl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-aminato(2-), 9-[5-O-[[[[3,4-dihydroxy-4-[[3-hydroxy-3-[(2-mercaptoethyl)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: 1108.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 170.8±3.0 kJ/mol
Flash Point: 624.4±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 23
#H bond donors: 10
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -2.57
ACD/LogD (pH 5.5): -10.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 432 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement