ChemSpider 2D Image | Methyl 2-O-(phenylsulfonyl)-alpha-D-glucopyranoside | C13H18O8S

Methyl 2-O-(phenylsulfonyl)-α-D-glucopyranoside

  • Molecular FormulaC13H18O8S
  • Average mass334.342 Da
  • Monoisotopic mass334.072235 Da
  • ChemSpider ID57621360

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-O-(Phénylsulfonyl)-α-D-glucopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 2-O-(phenylsulfonyl)-α-D-glucopyranoside [ACD/IUPAC Name]
Methyl-2-O-(phenylsulfonyl)-α-D-glucopyranosid [German] [ACD/IUPAC Name]
α-D-Glucopyranoside, methyl, 2-benzenesulfonate [ACD/Index Name]
(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl benzenesulfonate
137600-16-9 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 555.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 290.0±30.1 °C
Index of Refraction: 1.604
Molar Refractivity: 75.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.55
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.53
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.53
Polar Surface Area: 131 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 70.1±5.0 dyne/cm
Molar Volume: 219.8±5.0 cm3

Click to predict properties on the Chemicalize site


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