ChemSpider 2D Image | 1,5-Anhydro-3,4,6-tri-O-benzyl-2-deoxy-1-[(S)-phenylsulfinyl]-D-arabino-hex-1-enitol | C33H32O5S

1,5-Anhydro-3,4,6-tri-O-benzyl-2-deoxy-1-[(S)-phenylsulfinyl]-D-arabino-hex-1-enitol

  • Molecular FormulaC33H32O5S
  • Average mass540.669 Da
  • Monoisotopic mass540.197021 Da
  • ChemSpider ID23078582
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

1,5-Anhydro-3,4,6-tri-O-benzyl-2-deoxy-1-[(S)-phenylsulfinyl]-D-arabino-hex-1-enitol [ACD/IUPAC Name]
1,5-Anhydro-3,4,6-tri-O-benzyl-2-desoxy-1-[(S)-phenylsulfinyl]-D-arabino-hex-1-enitol [German] [ACD/IUPAC Name]
1,5-Anhydro-3,4,6-tri-O-benzyl-2-désoxy-1-[(S)-phénylsulfinyl]-D-arabino-hex-1-énitol [French] [ACD/IUPAC Name]
D-arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-3,4,6-tris-O-(phenylmethyl)-1-C-[(S)-phenylsulfinyl]- [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: 715.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 386.6±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 156.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.68
ACD/LogD (pH 5.5): 6.02
ACD/BCF (pH 5.5): 22164.54
ACD/KOC (pH 5.5): 44896.07
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 22164.54
ACD/KOC (pH 7.4): 44896.07
Polar Surface Area: 73 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 425.0±5.0 cm3

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