ChemSpider 2D Image | (2R,3R,4S,5S)-3-({(2R,3R,5R,6S)-4-Ethyl-5,6-dihydroxy-3-[(Z)-(1-hydroxyethylidene)amino]tetrahydro-2H-pyran-2-yl}oxy)-4,5-dihydroxy-6-methoxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) | C16H27NO11

(2R,3R,4S,5S)-3-({(2R,3R,5R,6S)-4-Ethyl-5,6-dihydroxy-3-[(Z)-(1-hydroxyethylidene)amino]tetrahydro-2H-pyran-2-yl}oxy)-4,5-dihydroxy-6-methoxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)

  • Molecular FormulaC16H27NO11
  • Average mass409.386 Da
  • Monoisotopic mass409.158417 Da
  • ChemSpider ID34019195

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(2R,3R,4S,5S)-3-({(2R,3R,5R,6S)-4-Ethyl-5,6-dihydroxy-3-[(Z)-(1-hydroxyethyliden)amino]tetrahydro-2H-pyran-2-yl}oxy)-4,5-dihydroxy-6-methoxytetrahydro-2H-pyran-2-carbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(2R,3R,4S,5S)-3-({(2R,3R,5R,6S)-4-Ethyl-5,6-dihydroxy-3-[(Z)-(1-hydroxyethylidene)amino]tetrahydro-2H-pyran-2-yl}oxy)-4,5-dihydroxy-6-methoxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) [ACD/IUPAC Name]
Acide (2R,3R,4S,5S)-3-({(2R,3R,5R,6S)-4-éthyl-5,6-dihydroxy-3-[(Z)-(1-hydroxyéthylidène)amino]tétrahydro-2H-pyran-2-yl}oxy)-4,5-dihydroxy-6-méthoxytétrahydro-2H-pyrane-2-carboxylique (non-preferred na me) [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 693.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.1±6.0 kJ/mol
Flash Point: 373.1±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 85.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.65
ACD/LogD (pH 5.5): -4.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 188 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 242.1±7.0 cm3

Click to predict properties on the Chemicalize site


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