ChemSpider 2D Image | 9-{(2xi)-5-O-[Hydroxy(phosphonooxy)phosphoryl]-beta-D-threo-pentofuranosyl}-9H-purin-6-amine | C10H15N5O10P2

9-{(2ξ)-5-O-[Hydroxy(phosphonooxy)phosphoryl]-β-D-threo-pentofuranosyl}-9H-purin-6-amine

  • Molecular FormulaC10H15N5O10P2
  • Average mass427.201 Da
  • Monoisotopic mass427.029419 Da
  • ChemSpider ID50644794
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

9-{(2ξ)-5-O-[Hydroxy(phosphonooxy)phosphoryl]-β-D-threo-pentofuranosyl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-{(2ξ)-5-O-[Hydroxy(phosphonooxy)phosphoryl]-β-D-threo-pentofuranosyl}-9H-purin-6-amine [ACD/IUPAC Name]
9-{(2ξ)-5-O-[Hydroxy(phosphonooxy)phosphoryl]-β-D-thréo-pentofuranosyl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[(2ξ)-5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-threo-pentofuranosyl]- [ACD/Index Name]
58-64-0 [RN]
5'-Adp
Adenosine 5'-diphosphate
Adenosine 5'-diphosphate|5'-ADP

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.5±0.1 g/cm3
Boiling Point: 877.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.6±3.0 kJ/mol
Flash Point: 484.6±37.1 °C
Index of Refraction: 1.905
Molar Refractivity: 79.9±0.5 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.91
ACD/LogD (pH 5.5): -8.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 252 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 170.8±7.0 dyne/cm
Molar Volume: 171.1±7.0 cm3

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