Found 1 result

Search term: MF = 'C_{18}H_{20}BrClN_{6}O_{16}P_{4}'
ChemSpider 2D Image | 5'-O-[{[{[({[(5-Bromo-4-chloro-1H-indol-3-yl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine | C18H20BrClN6O16P4

5'-O-[{[{[({[(5-Bromo-4-chloro-1H-indol-3-yl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine

  • Molecular FormulaC18H20BrClN6O16P4
  • Average mass815.634 Da
  • Monoisotopic mass813.875793 Da
  • ChemSpider ID167008

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[{[{[({[(5-Brom-4-chlor-1H-indol-3-yl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[{[{[({[(5-Bromo-4-chloro-1H-indol-3-yl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[{[{[({[(5-Bromo-4-chloro-1H-indol-3-yl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[[[[[(5-bromo-4-chloro-1H-indol-3-yl)oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
148778-60-3 [RN]
5-Bromo-4-chloro-3-indolyl tetraphospho-5'-adenosine
5-Bromo-4-chloro-3-indolyltetraphospho-5'-adenosine
Bcip4A

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

Density: 2.5±0.1 g/cm3
Boiling Point: 1113.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 171.6±3.0 kJ/mol
Flash Point: 627.2±37.1 °C
Index of Refraction: 1.884
Molar Refractivity: 147.3±0.5 cm3
#H bond acceptors: 22
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.83
ACD/LogD (pH 5.5): -10.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 370 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 153.9±7.0 dyne/cm
Molar Volume: 320.5±7.0 cm3

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