ChemSpider 2D Image | (2R,3S,4R,5S,6R)-2-(Hydroxymethyl)-6-({(5R)-3-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred na me) | C16H27NO11

(2R,3S,4R,5S,6R)-2-(Hydroxymethyl)-6-({(5R)-3-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred na me)

  • Molecular FormulaC16H27NO11
  • Average mass409.386 Da
  • Monoisotopic mass409.158417 Da
  • ChemSpider ID34524609

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2R,3S,4R,5S,6R)-2-(Hydroxymethyl)-6-({(5R)-3-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred na me) [German] [ACD/IUPAC Name]
(2R,3S,4R,5S,6R)-2-(Hydroxymethyl)-6-({(5R)-3-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred na me) [ACD/IUPAC Name]
(2R,3S,4R,5S,6R)-2-(Hydroxyméthyl)-6-({(5R)-3-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-méthoxytétrahydro-2H-pyran-2-yl]-4,5-dihydro-1,2-oxazol-5-yl}méthyl)tétrahydro-2H-pyrane-3,4,5-triol (non-preferred n ame) [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 680.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.3±6.0 kJ/mol
Flash Point: 365.6±34.3 °C
Index of Refraction: 1.698
Molar Refractivity: 83.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.03
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.72
ACD/LogD (pH 7.4): -0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.72
Polar Surface Area: 191 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 76.3±7.0 dyne/cm
Molar Volume: 215.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement