ChemSpider 2D Image | 8-BROMOADENOSINE-5'-DIPHOSPHATE | C10H14BrN5O10P2

8-BROMOADENOSINE-5'-DIPHOSPHATE

  • Molecular FormulaC10H14BrN5O10P2
  • Average mass506.097 Da
  • Monoisotopic mass504.939911 Da
  • ChemSpider ID26330316

  • 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-[(R)-hydroxy(phosphonooxy)phosphoryl]-α-L-arabinofuranosyl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
8-Bromo-9-{5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-α-L-arabinofuranosyl}-9H-purin-6-amine [ACD/IUPAC Name]
8-Bromo-9-{5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-α-L-arabinofuranosyl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
8-BROMOADENOSINE-5'-DIPHOSPHATE
9H-Purin-6-amine, 8-bromo-9-[5-O-[(R)-hydroxy(phosphonooxy)phosphinyl]-α-L-arabinofuranosyl]- [ACD/Index Name]
[({[(2S,3R,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
{[(2S,3R,4R,5R)-5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxyphosphonic acid

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

Density: 2.8±0.1 g/cm3
Boiling Point: 911.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.8±3.0 kJ/mol
Flash Point: 505.0±37.1 °C
Index of Refraction: 1.931
Molar Refractivity: 87.4±0.5 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -3.07
ACD/LogD (pH 5.5): -8.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 252 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 169.0±7.0 dyne/cm
Molar Volume: 183.6±7.0 cm3

Click to predict properties on the Chemicalize site


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