ChemSpider 2D Image | Phenyl 2,3-di-O-benzyl-4,6-O-benzylidene-1-thio-beta-D-mannopyranoside | C33H32O5S

Phenyl 2,3-di-O-benzyl-4,6-O-benzylidene-1-thio-β-D-mannopyranoside

  • Molecular FormulaC33H32O5S
  • Average mass540.669 Da
  • Monoisotopic mass540.197021 Da
  • ChemSpider ID114779267

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

2,3-Di-O-benzyl-4,6-O-benzylidène-1-thio-β-D-mannopyranoside de phényle [French] [ACD/IUPAC Name]
Phenyl 2,3-di-O-benzyl-4,6-O-benzylidene-1-thio-β-D-mannopyranoside [ACD/IUPAC Name]
Phenyl-2,3-di-O-benzyl-4,6-O-benzyliden-1-thio-β-D-mannopyranosid [German] [ACD/IUPAC Name]
β-D-Mannopyranoside, phenyl 2,3-bis-O-(phenylmethyl)-4,6-O-(phenylmethylene)-1-thio- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 675.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 362.2±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 155.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.99
ACD/LogD (pH 5.5): 7.96
ACD/BCF (pH 5.5): 657829.50
ACD/KOC (pH 5.5): 508365.19
ACD/LogD (pH 7.4): 7.96
ACD/BCF (pH 7.4): 657829.50
ACD/KOC (pH 7.4): 508365.19
Polar Surface Area: 71 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 424.7±5.0 cm3

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