ChemSpider 2D Image | 8-Bromo-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-ribofuranosyl]-9H-purin-2-amine | C10H15BrN5O13P3

8-Bromo-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-9H-purin-2-amine

  • Molecular FormulaC10H15BrN5O13P3
  • Average mass586.077 Da
  • Monoisotopic mass584.906250 Da
  • ChemSpider ID2339682

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

8-Brom-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-9H-purin-2-amin [German] [ACD/IUPAC Name]
8-Bromo-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-9H-purin-2-amine [ACD/IUPAC Name]
8-Bromo-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-9H-purin-2-amine [French] [ACD/IUPAC Name]
9H-Purin-2-amine, 8-bromo-9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]- [ACD/Index Name]
[[(2R,3S,4R,5R)-5-(2-Amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
23567-97-7 [RN]
81055-88-1 [RN]
8-Bromo-ATP

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

81055-88-1,23567-97-7 [DBID]

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

Density: 2.9±0.1 g/cm3
Boiling Point: 1009.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.4±3.0 kJ/mol
Flash Point: 564.5±37.1 °C
Index of Refraction: 1.928
Molar Refractivity: 97.4±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.53
ACD/LogD (pH 5.5): -11.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 193.9±7.0 dyne/cm
Molar Volume: 204.9±7.0 cm3

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