ChemSpider 2D Image | (2R,3R,4S,6S)-3-Acetamido-6-(hydroxymethyl)-2-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-4-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl] oxy}tetrahydro-2H-pyran-2-yl dihydrogen phosphate | C20H36NO18P

(2R,3R,4S,6S)-3-Acetamido-6-(hydroxymethyl)-2-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-4-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl] oxy}tetrahydro-2H-pyran-2-yl dihydrogen phosphate

  • Molecular FormulaC20H36NO18P
  • Average mass609.469 Da
  • Monoisotopic mass609.166992 Da
  • ChemSpider ID2340333

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(2R,3R,4S,6S)-3-Acetamido-6-(hydroxymethyl)-2-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-4-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl] oxy}tetrahydro-2H-pyran-2-yl dihydrogen phosphate [ACD/IUPAC Name]
(2R,3R,4S,6S)-3-Acetamido-6-(hydroxymethyl)-2-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-4-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl] oxy}tetrahydro-2H-pyran-2-yldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de (2R,3R,4S,6S)-3-acétamido-6-(hydroxyméthyl)-2-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-4-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-méthylt étrahydro-2H-pyran-2-yl]oxy}tétrahydro-2H-pyran-2-yle [French] [ACD/IUPAC Name]
(Galactopyranosyl(1-4)-fucopyranosyl(1-3))-N-acetylglucosamine 1-phosphate
(GALACTOPYRANOSYL(1-4)-FUCOPYRANOSYL(1-3))-N-ACETYLGLUCOSAMINE 1-PHOSPHONATE
122998-77-0 [RN]
Gal(1-4)(fuc(1-3))glcnac(1-P)
GFGP
α-D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1-3)-O-(β-D-galactopyranosyl-(1-4))-2-(acetylamino)-2-deoxy-, 1-(dihydrogen phosphate)

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 124.6±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.80
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): -8.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 314 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 103.1±5.0 dyne/cm
Molar Volume: 348.2±5.0 cm3

Click to predict properties on the Chemicalize site


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