ChemSpider 2D Image | 1,3-Propanediol, 2,2-bis[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, 1,3-bis(4-methylbenzenesulfonate) | C33H36O12S4

1,3-Propanediol, 2,2-bis[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, 1,3-bis(4-methylbenzenesulfonate)

  • Molecular FormulaC33H36O12S4
  • Average mass752.892 Da
  • Monoisotopic mass752.108948 Da
  • ChemSpider ID266487

More details:

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

1,3-Propanediol, 2,2-bis[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, 1,3-bis(4-methylbenzenesulfonate)
1,3-Propanediol, 2,2-bis[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, bis(4-methylbenzenesulfonate) [ACD/Index Name]
1522-89-0 [RN]
3-{[(4-Methylphenyl)sulfonyl]oxy}-2,2-bis({[(4-methylphenyl)sulfonyl]oxy}methyl)propyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
3-{[(4-Methylphenyl)sulfonyl]oxy}-2,2-bis({[(4-methylphenyl)sulfonyl]oxy}methyl)propyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
4-Méthylbenzènesulfonate de 3-{[(4-méthylphényl)sulfonyl]oxy}-2,2-bis({[(4-méthylphényl)sulfonyl]oxy}méthyl)propyle [French] [ACD/IUPAC Name]
MFCD00159219 [MDL number]
[3-(4-methylphenyl)sulfonyloxy-2,2-bis[(4-methylphenyl)sulfonyloxymethyl]propyl] 4-methylbenzenesulfonate
2,2-Bis((tosyloxy)methyl)propane-1,3-diyl bis(4-methylbenzenesulfonate)
2,2-Bis(tosyloxymethyl)propane-1,3-diyl bis(4-methylbenzenesulfonate)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BAS 00295862 [DBID]
NSC179394 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 884.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 124.2±3.0 kJ/mol
Flash Point: 488.8±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 184.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 55172.43
ACD/KOC (pH 5.5): 86239.48
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 55172.43
ACD/KOC (pH 7.4): 86239.48
Polar Surface Area: 207 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 546.3±3.0 cm3

Click to predict properties on the Chemicalize site


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