ChemSpider 2D Image | 9-[5-O-({[(4-{[3-({2-[(Carboxylatoacetyl)sulfanyl]ethyl}ammonio)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutoxy)phosphinato]oxy}phosphinato)-3-O-(hydroxyphosphinato)pentofuranosyl]-9H-purin-6-a mine | C24H35N7O19P3S

9-[5-O-({[(4-{[3-({2-[(Carboxylatoacetyl)sulfanyl]ethyl}ammonio)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutoxy)phosphinato]oxy}phosphinato)-3-O-(hydroxyphosphinato)pentofuranosyl]-9H-purin-6-a mine

  • Molecular FormulaC24H35N7O19P3S
  • Average mass850.558 Da
  • Monoisotopic mass850.093750 Da
  • ChemSpider ID21239183

  • Charge - Charge

More details:

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

9-[5-O-({[(4-{[3-({2-[(2-Carboxylatoacétyl)sulfanyl]éthyl}ammonio)-3-oxopropyl]amino}-3-hydroxy-2,2-diméthyl-4-oxobutoxy)phosphinato]oxy}phosphinato)-3-O-(hydroxyphosphinato)pentofuranosyl]-9H-purin-6 -amine [French] [ACD/IUPAC Name]
9-[5-O-({[(4-{[3-({2-[(Carboxylatoacetyl)sulfanyl]ethyl}ammonio)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutoxy)phosphinato]oxy}phosphinato)-3-O-(hydroxyphosphinato)pentofuranosyl]-9H-purin-6-a min [German] [ACD/IUPAC Name]
9-[5-O-({[(4-{[3-({2-[(Carboxylatoacetyl)sulfanyl]ethyl}ammonio)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutoxy)phosphinato]oxy}phosphinato)-3-O-(hydroxyphosphinato)pentofuranosyl]-9H-purin-6-a mine [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[[[[4-[[3-[[2-[(2-carboxyacetyl)thio]ethyl]imino]-3-hydroxypropyl]imino]-3,4-dihydroxy-2,2-dimethylbutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-3-O-phosphonopentofuranosyl] -, inner salt, ion(3-) [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 1193.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 185.4±3.0 kJ/mol
Flash Point: 675.8±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 26
#H bond donors: 11
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -2.80
ACD/LogD (pH 5.5): -11.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 476 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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