Found 1 result

Search term: FPSYIYHXQNZMRE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(2-Amino-6-oxo-5,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferre d name) | C16H25N5O15P2

[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-5,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferre d name)

  • Molecular FormulaC16H25N5O15P2
  • Average mass589.342 Da
  • Monoisotopic mass589.082214 Da
  • ChemSpider ID9619548

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-5,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferre d name) [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-5,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yldihydrogendiphosphat (non-preferred n ame) [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-(2-amino-6-oxo-5,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (3R,4S,5R,6R)-3,4,5-trihydroxy-6-méthyltétrahydro-2H-pyran-2-yle (n on-preferred name) [French] [ACD/IUPAC Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 885.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.2±6.0 kJ/mol
Flash Point: 489.5±37.1 °C
Index of Refraction: 1.869
Molar Refractivity: 110.1±0.5 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.02
ACD/LogD (pH 5.5): -10.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 325 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 146.0±7.0 dyne/cm
Molar Volume: 242.5±7.0 cm3

Click to predict properties on the Chemicalize site


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