ChemSpider 2D Image | Methyl 4,6-O-benzylidene-2,3-bis-O-[(4-methylphenyl)sulfonyl]-alpha-D-mannopyranoside | C28H30O10S2

Methyl 4,6-O-benzylidene-2,3-bis-O-[(4-methylphenyl)sulfonyl]-α-D-mannopyranoside

  • Molecular FormulaC28H30O10S2
  • Average mass590.662 Da
  • Monoisotopic mass590.128052 Da
  • ChemSpider ID30657503

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

4,6-O-Benzylidène-2,3-bis-O-[(4-méthylphényl)sulfonyl]-α-D-mannopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 4,6-O-benzylidene-2,3-bis-O-[(4-methylphenyl)sulfonyl]-α-D-mannopyranoside [ACD/IUPAC Name]
Methyl-4,6-O-benzyliden-2,3-bis-O-[(4-methylphenyl)sulfonyl]-α-D-mannopyranosid [German] [ACD/IUPAC Name]
α-D-Mannopyranoside, methyl 4,6-O-(phenylmethylene)-, bis(4-methylbenzenesulfonate) [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 737.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 400.0±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 146.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2611.81
ACD/KOC (pH 5.5): 9715.00
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2611.81
ACD/KOC (pH 7.4): 9715.00
Polar Surface Area: 140 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 411.4±5.0 cm3

Click to predict properties on the Chemicalize site


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