ChemSpider 2D Image | Adenosine-5'-Diphosphate-2-Deoxy-2-Fluoro Heptose | C17H26FN5O15P2

Adenosine-5'-Diphosphate-2-Deoxy-2-Fluoro Heptose

  • Molecular FormulaC17H26FN5O15P2
  • Average mass621.359 Da
  • Monoisotopic mass621.088440 Da
  • ChemSpider ID9702183
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2S,3R,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3-fluoro-4,5-dihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (no n-preferred name) [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2S,3R,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3-fluor-4,5-dihydroxytetrahydro-2H-pyran-2-yldihydrogendiphosphat (non-pr eferred name) [German] [ACD/IUPAC Name]
Adenosine-5'-Diphosphate-2-Deoxy-2-Fluoro Heptose
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (2S,3R,4S,5S,6R)-6-[(1S)-1,2-dihydroxyéthyl]-3-fluoro-4,5-dihydroxytétrahydro-2H-pyra n-2-yle [French] [ACD/IUPAC Name]
AFH

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

Density: 2.4±0.1 g/cm3
Boiling Point: 1027.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.3±3.0 kJ/mol
Flash Point: 575.1±37.1 °C
Index of Refraction: 1.826
Molar Refractivity: 114.8±0.5 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.50
ACD/LogD (pH 5.5): -9.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 331 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 132.2±7.0 dyne/cm
Molar Volume: 262.3±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement