ChemSpider 2D Image | ADP-L-glycero-beta-D-manno-heptose | C17H27N5O16P2

ADP-L-glycero-β-D-manno-heptose

  • Molecular FormulaC17H27N5O16P2
  • Average mass619.368 Da
  • Monoisotopic mass619.092773 Da
  • ChemSpider ID26332263

  • 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,3S,4S,5S,6R)-6-(1,2-dihydroxyethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2S,3S,4S,5S,6R)-6-(1,2-dihydroxyethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yldihydrogendiphosphat (non-preferred na me) [German] [ACD/IUPAC Name]
ADP-L-glycero-β-D-manno-heptose
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (2S,3S,4S,5S,6R)-6-(1,2-dihydroxyéthyl)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yle (no n-preferred name) [French] [ACD/IUPAC Name]
adenine 5'-[3-(L-glycero-β-D-manno-heptopyranosyl) dihydrogen diphosphate]
  • Miscellaneous

    • Chemical Class:

      An ADP-<stereo>L</stereo>-<stereo>glycero</stereo>-<stereo>D</stereo>-<stereo>manno</stereo>-heptose having <stereo>beta</stereo>-configuration at the anomeric centre of the heptose. ChEBI CHEBI:61530
      An ADP-L-glycero-D-manno-heptose having beta-configuration at the anomeric centre of the heptose. ChEBI CHEBI:61530

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

Density: 2.4±0.1 g/cm3
Boiling Point: 1051.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.2±3.0 kJ/mol
Flash Point: 589.7±37.1 °C
Index of Refraction: 1.861
Molar Refractivity: 115.8±0.5 cm3
#H bond acceptors: 21
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.83
ACD/LogD (pH 5.5): -9.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 352 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 147.8±7.0 dyne/cm
Molar Volume: 256.7±7.0 cm3

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