ChemSpider 2D Image | N-[(2R,3R,4R,5R,6R)-5-Hydroxy-6-(hydroxymethyl)-2-methoxy-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]methyl}tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name) | C16H29NO9

N-[(2R,3R,4R,5R,6R)-5-Hydroxy-6-(hydroxymethyl)-2-methoxy-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]methyl}tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)

  • Molecular FormulaC16H29NO9
  • Average mass379.403 Da
  • Monoisotopic mass379.184235 Da
  • ChemSpider ID74100216

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

N-[(2R,3R,4R,5R,6R)-5-Hydroxy-6-(hydroxymethyl)-2-methoxy-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]methyl}tetrahydro-2H-pyran-3-yl]acetamid (non-preferred name) [German] [ACD/IUPAC Name]
N-[(2R,3R,4R,5R,6R)-5-Hydroxy-6-(hydroxymethyl)-2-methoxy-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]methyl}tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name) [ACD/IUPAC Name]
N-[(2R,3R,4R,5R,6R)-5-Hydroxy-6-(hydroxyméthyl)-2-méthoxy-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-méthyltétrahydro-2H-pyran-2-yl]méthyl}tétrahydro-2H-pyran-3-yl]acétamide (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 672.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±6.0 kJ/mol
Flash Point: 360.4±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 88.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.39
ACD/LogD (pH 5.5): -2.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.57
ACD/LogD (pH 7.4): -2.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.57
Polar Surface Area: 158 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 270.8±5.0 cm3

Click to predict properties on the Chemicalize site


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