ChemSpider 2D Image | (2S)-2-(Benzyloxy)-5-{[(4-methylphenyl)sulfonyl]oxy}pentyl 4-methylbenzenesulfonate | C26H30O7S2

(2S)-2-(Benzyloxy)-5-{[(4-methylphenyl)sulfonyl]oxy}pentyl 4-methylbenzenesulfonate

  • Molecular FormulaC26H30O7S2
  • Average mass518.642 Da
  • Monoisotopic mass518.143311 Da
  • ChemSpider ID9960360

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(Benzyloxy)-5-{[(4-methylphenyl)sulfonyl]oxy}pentyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
(2S)-2-(Benzyloxy)-5-{[(4-methylphenyl)sulfonyl]oxy}pentyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
1,5-Pentanediol, 2-(phenylmethoxy)-, bis(4-methylbenzenesulfonate), (2S)- [ACD/Index Name]
4-Méthylbenzènesulfonate de (2S)-2-(benzyloxy)-5-{[(4-méthylphényl)sulfonyl]oxy}pentyle [French] [ACD/IUPAC Name]
(2S)-2-(benzyloxy)-1,5-bis(para-toluenesulfonyloxy)pentane
848927-69-5 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 670.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 359.0±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 136.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5860.96
ACD/KOC (pH 5.5): 17326.22
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5860.96
ACD/KOC (pH 7.4): 17326.22
Polar Surface Area: 113 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 412.6±3.0 cm3

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