ChemSpider 2D Image | 3-O-Benzyl-5,6-dideoxy-5-(1,3-dimethoxy-1,3-dioxo-2-propanyl)-1,2-O-isopropylidene-6-[(4-methylphenyl)sulfonyl]-beta-L-talofuranose | C28H34O10S

3-O-Benzyl-5,6-dideoxy-5-(1,3-dimethoxy-1,3-dioxo-2-propanyl)-1,2-O-isopropylidene-6-[(4-methylphenyl)sulfonyl]-β-L-talofuranose

  • Molecular FormulaC28H34O10S
  • Average mass562.629 Da
  • Monoisotopic mass562.187256 Da
  • ChemSpider ID20574431

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-O-Benzyl-5,6-dideoxy-5-(1,3-dimethoxy-1,3-dioxo-2-propanyl)-1,2-O-isopropylidene-6-[(4-methylphenyl)sulfonyl]-β-L-talofuranose [ACD/IUPAC Name]
3-O-Benzyl-5,6-didesoxy-5-(1,3-dimethoxy-1,3-dioxo-2-propanyl)-1,2-O-isopropyliden-6-[(4-methylphenyl)sulfonyl]-β-L-talofuranose [German] [ACD/IUPAC Name]
3-O-Benzyl-5,6-didésoxy-5-(1,3-diméthoxy-1,3-dioxo-2-propanyl)-1,2-O-isopropylidène-6-[(4-méthylphényl)sulfonyl]-β-L-talofuranose [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 677.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.7±31.5 °C
Index of Refraction: 1.577
Molar Refractivity: 140.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1154.20
ACD/KOC (pH 5.5): 5414.76
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1154.12
ACD/KOC (pH 7.4): 5414.41
Polar Surface Area: 132 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 425.2±5.0 cm3

Click to predict properties on the Chemicalize site


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