Found 1 result

Search term: GLCRVGHVCJLAHS-QYYRPYCUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2'-Bromo-2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]adenosine | C10H16BrN6O11P3

2'-Bromo-2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]adenosine

  • Molecular FormulaC10H16BrN6O11P3
  • Average mass569.093 Da
  • Monoisotopic mass567.927307 Da
  • ChemSpider ID59053033

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2'-Brom-2'-desoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]adenosin [German] [ACD/IUPAC Name]
2'-Bromo-2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]adenosine [ACD/IUPAC Name]
2'-Bromo-2'-désoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 2'-bromo-2'-deoxy-5'-O-[(R)-hydroxy[[(R)-hydroxy(phosphonoamino)phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
2'-Bromo-2'-Deoxyadenosine 5'-[β,γ-Imide]triphosphoric Acid
6NQ

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

Density: 2.8±0.1 g/cm3
Boiling Point: 958.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.3±3.0 kJ/mol
Flash Point: 533.7±37.1 °C
Index of Refraction: 1.932
Molar Refractivity: 98.2±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.64
ACD/LogD (pH 5.5): -10.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 291 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 185.2±7.0 dyne/cm
Molar Volume: 205.9±7.0 cm3

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