ChemSpider 2D Image | (7R)-1,2-Dimethoxy-10-(methylsulfanyl)-9-oxo-7-(2-oxopropyl)-5,6,7,9-tetrahydrobenzo[a]heptalen-3-yl alpha-L-gulopyranoside | C28H34O10S

(7R)-1,2-Dimethoxy-10-(methylsulfanyl)-9-oxo-7-(2-oxopropyl)-5,6,7,9-tetrahydrobenzo[a]heptalen-3-yl α-L-gulopyranoside

  • Molecular FormulaC28H34O10S
  • Average mass562.629 Da
  • Monoisotopic mass562.187256 Da
  • ChemSpider ID107451275

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(7R)-1,2-Dimethoxy-10-(methylsulfanyl)-9-oxo-7-(2-oxopropyl)-5,6,7,9-tetrahydrobenzo[a]heptalen-3-yl α-L-gulopyranoside [ACD/IUPAC Name]
(7R)-1,2-Dimethoxy-10-(methylsulfanyl)-9-oxo-7-(2-oxopropyl)-5,6,7,9-tetrahydrobenzo[a]heptalen-3-yl-α-L-gulopyranosid [German] [ACD/IUPAC Name]
Benzo[a]heptalen-9(5H)-one, 3-(α-L-gulopyranosyloxy)-6,7-dihydro-1,2-dimethoxy-10-(methylthio)-7-(2-oxopropyl)-, (7R)- [ACD/Index Name]
α-L-Gulopyranoside de (7R)-1,2-diméthoxy-10-(méthylsulfanyl)-9-oxo-7-(2-oxopropyl)-5,6,7,9-tétrahydrobenzo[a]heptalén-3-yle [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: 859.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.8±3.0 kJ/mol
Flash Point: 473.5±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 142.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.25
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.28
ACD/KOC (pH 5.5): 41.48
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.28
ACD/KOC (pH 7.4): 41.48
Polar Surface Area: 177 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 70.2±5.0 dyne/cm
Molar Volume: 394.2±5.0 cm3

Click to predict properties on the Chemicalize site


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