ChemSpider 2D Image | N-{3-[(2S,4R,6S)-4-[4-(Hydroxymethyl)phenyl]-6-{[(1-oxido-2-pyridinyl)sulfanyl]methyl}-1,3-dioxan-2-yl]phenyl}benzenesulfonamide | C29H28N2O6S2

N-{3-[(2S,4R,6S)-4-[4-(Hydroxymethyl)phenyl]-6-{[(1-oxido-2-pyridinyl)sulfanyl]methyl}-1,3-dioxan-2-yl]phenyl}benzenesulfonamide

  • Molecular FormulaC29H28N2O6S2
  • Average mass564.672 Da
  • Monoisotopic mass564.138855 Da
  • ChemSpider ID5127154

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzenesulfonamide, N-[3-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-[[(1-oxido-2-pyridinyl)thio]methyl]-1,3-dioxan-2-yl]phenyl]- [ACD/Index Name]
N-{3-[(2S,4R,6S)-4-[4-(Hydroxymethyl)phenyl]-6-{[(1-oxido-2-pyridinyl)sulfanyl]methyl}-1,3-dioxan-2-yl]phenyl}benzenesulfonamide [ACD/IUPAC Name]
N-{3-[(2S,4R,6S)-4-[4-(Hydroxymethyl)phenyl]-6-{[(1-oxido-2-pyridinyl)sulfanyl]methyl}-1,3-dioxan-2-yl]phenyl}benzolsulfonamid [German] [ACD/IUPAC Name]
N-{3-[(2S,4R,6S)-4-[4-(Hydroxyméthyl)phényl]-6-{[(1-oxydo-2-pyridinyl)sulfanyl]méthyl}-1,3-dioxan-2-yl]phényl}benzènesulfonamide [French] [ACD/IUPAC Name]

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

DIOX2_013576 [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: 825.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 453.2±37.1 °C
Index of Refraction: 1.658
Molar Refractivity: 152.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.11
ACD/KOC (pH 5.5): 865.40
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 81.16
ACD/KOC (pH 7.4): 788.17
Polar Surface Area: 144 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 414.0±7.0 cm3

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