ChemSpider 2D Image | GDP-4-amino-4,6-dideoxy-alpha-D-mannose | C16H26N6O14P2


  • Molecular FormulaC16H26N6O14P2
  • Average mass588.357 Da
  • Monoisotopic mass588.098206 Da
  • ChemSpider ID29368161
  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,3S,4S,5S,6R)-5-Amino-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate (non- preferred name) [ACD/IUPAC Name]
(2R,3S,4S,5S,6R)-5-Amino-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyldihydrogendiphosphat (non-pre ferred name) [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de (2R,3S,4S,5S,6R)-5-amino-3,4-dihydroxy-6-méthyltétrahydro-2H-pyran-2-yle et de [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]mé thyle [French] [ACD/IUPAC Name]
guanosine 5'-[3-(4-azaniumyl-4,6-dideoxy-α-D-mannopyranose) dihydrogen diphosphate]
  • Miscellaneous
    • Chemical Class:

      A GDP-hexose having 4-amino-4,6-dideoxy-<stereo>alpha</stereo>-<stereo>D</stereo>-mannose as the hexose fragment. ChEBI CHEBI:74045

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

Density: 2.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.884
Molar Refractivity: 111.2±0.5 cm3
#H bond acceptors: 20
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.23
ACD/LogD (pH 5.5): -7.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 333 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 148.3±7.0 dyne/cm
Molar Volume: 242.0±7.0 cm3

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