ChemSpider 2D Image | (4xi)-1,2-Dideoxy-1-[1-(mesitylsulfonyl)-1H-indol-3-yl]-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-O-(tetrahydro-2H-pyran-2-yl)-L-threo-pentitol | C32H44N2O8S

(4ξ)-1,2-Dideoxy-1-[1-(mesitylsulfonyl)-1H-indol-3-yl]-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-O-(tetrahydro-2H-pyran-2-yl)-L-threo-pentitol

  • Molecular FormulaC32H44N2O8S
  • Average mass616.765 Da
  • Monoisotopic mass616.281860 Da
  • ChemSpider ID8969202

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(4ξ)-1,2-Dideoxy-1-[1-(mesitylsulfonyl)-1H-indol-3-yl]-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-O-(tetrahydro-2H-pyran-2-yl)-L-threo-pentitol [ACD/IUPAC Name]
(4ξ)-1,2-Didesoxy-1-[1-(mesitylsulfonyl)-1H-indol-3-yl]-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-O-(tetrahydro-2H-pyran-2-yl)-L-threo-pentitol [German] [ACD/IUPAC Name]
(4ξ)-1,2-Didésoxy-1-[1-(mésitylsulfonyl)-1H-indol-3-yl]-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-3-O-(tétrahydro-2H-pyran-2-yl)-L-thréo-pentitol [French] [ACD/IUPAC Name]
L-threo-Pentitol, 1,2-dideoxy-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-O-(tetrahydro-2H-pyran-2-yl)-1-[1-[(2,4,6-trimethylphenyl)sulfonyl]-1H-indol-3-yl]-, (4ξ)- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.594
Molar Refractivity: 162.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6050.90
ACD/KOC (pH 5.5): 17726.30
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6050.49
ACD/KOC (pH 7.4): 17725.09
Polar Surface Area: 145 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 479.9±7.0 cm3

Click to predict properties on the Chemicalize site


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