ChemSpider 2D Image | 8-Aminoadenosine cyclic 3',5'-(hydrogen phosphate) 5'-ribofuranosyl ester | C15H22N6O13P2

8-Aminoadenosine cyclic 3',5'-(hydrogen phosphate) 5'-ribofuranosyl ester

  • Molecular FormulaC15H22N6O13P2
  • Average mass556.315 Da
  • Monoisotopic mass556.072021 Da
  • ChemSpider ID2338949
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

[(2S,5R)-5-{6,8-Diamino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2,5-dihydro-2-furanyl]-1,2-dihydro-9H-purin-9-yl}-4-hydroxy-2,5-dihydro-2-furanyl]methyl trihydrogen diphosphate [ACD/IUPAC Name]
[(2S,5R)-5-{6,8-Diamino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2,5-dihydro-2-furanyl]-1,2-dihydro-9H-purin-9-yl}-4-hydroxy-2,5-dihydro-2-furanyl]methyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
8-Aminoadenosine cyclic 3',5'-(hydrogen phosphate) 5'-ribofuranosyl ester
Diphosphoric acid, mono[[(2S,5R)-5-[6,8-diamino-1-[(2R,5R)-2,5-dihydro-3,4-dihydroxy-5-(hydroxymethyl)-2-furanyl]-1,2-dihydro-9H-purin-9-yl]-2,5-dihydro-4-hydroxy-2-furanyl]methyl] ester [ACD/Index Name]
Trihydrogénodiphosphate de [(2S,5R)-5-{6,8-diamino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxyméthyl)-2,5-dihydro-2-furanyl]-1,2-dihydro-9H-purin-9-yl}-4-hydroxy-2,5-dihydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
151898-25-8 [RN]
8-Amino-cadpr
8-Amino-cyclic Adenosine Diphosphate-ribose
Adenosine5'-(trihydrogen diphosphate), 8-amino-1-b-D-ribofuranosyl-, intramol. P',5''-ester (9CI)
Adenoxine 5'-(trihydrogen diphosphate) 8-amino-N-α-D-ribofuranosyl-, intramol., P'-5''-ester

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

Density: 2.5±0.1 g/cm3
Boiling Point: 888.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.7±6.0 kJ/mol
Flash Point: 491.4±37.1 °C
Index of Refraction: 1.911
Molar Refractivity: 106.3±0.5 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.34
ACD/LogD (pH 5.5): -8.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 316 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 162.4±7.0 dyne/cm
Molar Volume: 226.5±7.0 cm3

Click to predict properties on the Chemicalize site