ChemSpider 2D Image | 9-{2-Deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-alpha-D-erythro-pentofuranosyl}-9H-purin-6-amine | C10H15N5O9P2

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

  • Molecular FormulaC10H15N5O9P2
  • Average mass411.202 Da
  • Monoisotopic mass411.034485 Da
  • ChemSpider ID35013036

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

9-{2-Deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-α-D-erythro-pentofuranosyl}-9H-purin-6-amine [ACD/IUPAC Name]
9-{2-Desoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-α-D-erythro-pentofuranosyl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-{2-Désoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-α-D-érythro-pentofuranosyl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[2-deoxy-5-O-[hydroxy(phosphonooxy)phosphinyl]-α-D-erythro-pentofuranosyl]- [ACD/Index Name]
[({[(2R,3S)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
{[(2R,3S)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxyphosphonic acid
08/06/2793
2'-DEOXYADENOSINE-5'-DIPHOSPHATE
dADP
Deoxyadenosine diphosphate [Wiki]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 836.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.4±3.0 kJ/mol
Flash Point: 459.7±37.1 °C
Index of Refraction: 1.871
Molar Refractivity: 79.0±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.66
ACD/LogD (pH 5.5): -8.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 232 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 154.5±7.0 dyne/cm
Molar Volume: 173.8±7.0 cm3

Click to predict properties on the Chemicalize site


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