ChemSpider 2D Image | Methyl 2-{[4-(hydroxymethyl)-4-(tetrahydro-2H-pyran-2-ylmethyl)-1-piperidinyl]sulfonyl}benzoate | C20H29NO6S

Methyl 2-{[4-(hydroxymethyl)-4-(tetrahydro-2H-pyran-2-ylmethyl)-1-piperidinyl]sulfonyl}benzoate

  • Molecular FormulaC20H29NO6S
  • Average mass411.512 Da
  • Monoisotopic mass411.171570 Da
  • ChemSpider ID22167894

More details:

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

2-{[4-(Hydroxyméthyl)-4-(tétrahydro-2H-pyran-2-ylméthyl)-1-pipéridinyl]sulfonyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[4-(hydroxymethyl)-4-[(tetrahydro-2H-pyran-2-yl)methyl]-1-piperidinyl]sulfonyl]-, methyl ester [ACD/Index Name]
Methyl 2-{[4-(hydroxymethyl)-4-(tetrahydro-2H-pyran-2-ylmethyl)-1-piperidinyl]sulfonyl}benzoate [ACD/IUPAC Name]
Methyl-2-{[4-(hydroxymethyl)-4-(tetrahydro-2H-pyran-2-ylmethyl)-1-piperidinyl]sulfonyl}benzoat [German] [ACD/IUPAC Name]
METHYL 2-[4-(HYDROXYMETHYL)-4-(OXAN-2-YLMETHYL)PIPERIDIN-1-YLSULFONYL]BENZOATE
METHYL 2-{[4-(HYDROXYMETHYL)-4-[(OXAN-2-YL)METHYL]PIPERIDIN-1-YL]SULFONYL}BENZOATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 577.7±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 303.2±29.6 °C
Index of Refraction: 1.550
Molar Refractivity: 105.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.95
ACD/KOC (pH 5.5): 580.23
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.95
ACD/KOC (pH 7.4): 580.23
Polar Surface Area: 102 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 330.8±3.0 cm3

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