ChemSpider 2D Image | (2S,3S,4R,5R,6S)-2-{[(2R,3R,4R,5S)-2-({[(2R,3R,4R,5S)-2-Ethyl-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]peroxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-6-(hydroxymeth
yl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name) | C19H34O16

(2S,3S,4R,5R,6S)-2-{[(2R,3R,4R,5S)-2-({[(2R,3R,4R,5S)-2-Ethyl-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]peroxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-6-(hydroxymeth yl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)

  • Molecular FormulaC19H34O16
  • Average mass518.464 Da
  • Monoisotopic mass518.184692 Da
  • ChemSpider ID82966169
  • defined stereocentres - 13 of 13 defined stereocentres


More details:






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

(2S,3S,4R,5R,6S)-2-{[(2R,3R,4R,5S)-2-({[(2R,3R,4R,5S)-2-Ethyl-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]peroxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-6-(hydroxymeth yl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3S,4R,5R,6S)-2-{[(2R,3R,4R,5S)-2-({[(2R,3R,4R,5S)-2-Ethyl-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]peroxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-6-(hydroxymeth yl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name) [ACD/IUPAC Name]
(2S,3S,4R,5R,6S)-2-{[(2R,3R,4R,5S)-2-({[(2R,3R,4R,5S)-2-Éthyl-3,4-dihydroxy-5-(hydroxyméthyl)tétrahydro-2-furanyl]peroxy}méthyl)-3,4-dihydroxy-5-(hydroxyméthyl)tétrahydro-2-furanyl]oxy}-6-(hydroxyméth yl)tétrahydro-2H-pyrane-3,4,5-triol (non-preferred name) [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 829.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.1±6.0 kJ/mol
Flash Point: 455.2±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 109.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -1.71
ACD/LogD (pH 5.5): -2.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 258 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 104.4±5.0 dyne/cm
Molar Volume: 301.9±5.0 cm3

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