ChemSpider 2D Image | GDP-N-acetyl-alpha-D-perosamine | C18H28N6O15P2

GDP-N-acetyl-α-D-perosamine

  • Molecular FormulaC18H28N6O15P2
  • Average mass630.394 Da
  • Monoisotopic mass630.108765 Da
  • ChemSpider ID29368162

  • 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-Acetamido-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-Acetamido-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 -preferred name) [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de (2R,3S,4S,5S,6R)-5-acétamido-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-furany l]méthyle [French] [ACD/IUPAC Name]
GDP-N-acetyl-α-D-perosamine
GDP-4-acetamido-4,6-dideoxy-α-D-mannose
Gdp-N-Acetylperosamine
guanosine 5'-[3-(4-acetamido-4,6-dideoxy-α-D-mannopyranose) dihydrogen diphosphate]
JB3
  • Miscellaneous

    • Chemical Class:

      A GDP-hexose having <element>N</element>-acetyl-<stereo>alpha</stereo>-<stereo>D</stereo>-perosamine as the hexose fragment. ChEBI CHEBI:74047
      A GDP-hexose having N-acetyl-alpha-D-perosamine as the hexose fragment. ChEBI CHEBI:74047

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

Density: 2.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.830
Molar Refractivity: 122.2±0.5 cm3
#H bond acceptors: 21
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.63
ACD/LogD (pH 5.5): -8.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 336 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 125.9±7.0 dyne/cm
Molar Volume: 278.4±7.0 cm3

Click to predict properties on the Chemicalize site


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