ChemSpider 2D Image | N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R)-5-{[(2S,3R,4R,5S,6R)-3-Acetamido-2-{[(2R,3S,4R,5R,6R)-6-{[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-2-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxyme thyl)tetrahydro-2H-pyran-3-yl]oxy}tetrahydro-2H-pyran-4-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-4,6-dihydroxy-2-(h ydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5 | C48H81N3O36

N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R)-5-{[(2S,3R,4R,5S,6R)-3-Acetamido-2-{[(2R,3S,4R,5R,6R)-6-{[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-2-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxyme thyl)tetrahydro-2H-pyran-3-yl]oxy}tetrahydro-2H-pyran-4-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-4,6-dihydroxy-2-(h ydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5

  • Molecular FormulaC48H81N3O36
  • Average mass1276.155 Da
  • Monoisotopic mass1275.459961 Da
  • ChemSpider ID8416202

  • defined stereocentres - 33 of 35 defined stereocentres

More details:

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

N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R)-5-{[(2S,3R,4R,5S,6R)-3-Acetamido-2-{[(2R,3S,4R,5R,6R)-6-{[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-2-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxyme thyl)tetrahydro-2H-pyran-3-yl]oxy}tetrahydro-2H-pyran-4-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-4,6-dihydroxy-2-(h ydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5 [ACD/IUPAC Name]
N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R)-5-{[(2S,3R,4R,5S,6R)-3-Acetamido-2-{[(2R,3S,4R,5R,6R)-6-{[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-2-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxyme thyl)tetrahydro-2H-pyran-3-yl]oxy}tetrahydro-2H-pyran-4-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-4,6-dihydroxy-2-(h ydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5 [German] [ACD/IUPAC Name]
N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R)-5-{[(2S,3R,4R,5S,6R)-3-Acétamido-2-{[(2R,3S,4R,5R,6R)-6-{[(2S,3R,4R,5S,6R)-3-acétamido-5-hydroxy-6-(hydroxyméthyl)-2-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymé thyl)tétrahydro-2H-pyran-3-yl]oxy}tétrahydro-2H-pyran-4-yl]oxy}-4,5-dihydroxy-2-(hydroxyméthyl)tétrahydro-2H-pyran-3-yl]oxy}-5-hydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-4-yl]oxy}-4,6-dihydroxy-2-(h ydroxyméthyl)tétrahydro-2H-pyran-3-yl]oxy}-5 [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1595.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 279.4±6.0 kJ/mol
Flash Point: 918.6±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 273.9±0.4 cm3
#H bond acceptors: 39
#H bond donors: 23
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -7.22
ACD/LogD (pH 5.5): -8.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 612 Å2
Polarizability: 108.6±0.5 10-24cm3
Surface Tension: 114.4±5.0 dyne/cm
Molar Volume: 727.8±5.0 cm3

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