ChemSpider 2D Image | 2-Bromo-9-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-alpha-D-erythro-pentofuranosyl]-9H-purin-6-amine | C10H15BrN5O12P3

2-Bromo-9-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-α-D-erythro-pentofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC10H15BrN5O12P3
  • Average mass570.078 Da
  • Monoisotopic mass568.911316 Da
  • ChemSpider ID114638

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Brom-9-[2-desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-α-D-erythro-pentofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
2-Bromo-9-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-α-D-erythro-pentofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
2-Bromo-9-[2-désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-α-D-érythro-pentofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 2-bromo-9-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-α-D-erythro-pentofuranosyl]- [ACD/Index Name]
106867-29-2 [RN]
2-Bromo-datp
Adenosine, 5'-(tetrahydrogen triphosphate)- 2-bromo-2'-deoxy-

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

Density: 2.7±0.1 g/cm3
Boiling Point: 983.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.1±3.0 kJ/mol
Flash Point: 548.3±37.1 °C
Index of Refraction: 1.899
Molar Refractivity: 96.5±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.06
ACD/LogD (pH 5.5): -10.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 288 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 178.4±7.0 dyne/cm
Molar Volume: 207.7±7.0 cm3

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