ChemSpider 2D Image | 2,6-Anhydro-5-deoxy-1,3-O-isopropylidene-6-[(S)-phenylsulfinyl]-D-arabino-hex-5-enitol | C15H18O5S

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

  • Molecular FormulaC15H18O5S
  • Average mass310.365 Da
  • Monoisotopic mass310.087494 Da
  • ChemSpider ID23078591

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2,6-Anhydro-5-deoxy-1,3-O-isopropylidene-6-[(S)-phenylsulfinyl]-D-arabino-hex-5-enitol [ACD/IUPAC Name]
2,6-Anhydro-5-desoxy-1,3-O-isopropyliden-6-[(S)-phenylsulfinyl]-D-arabino-hex-5-enitol [German] [ACD/IUPAC Name]
2,6-Anhydro-5-désoxy-1,3-O-isopropylidène-6-[(S)-phénylsulfinyl]-D-arabino-hex-5-énitol [French] [ACD/IUPAC Name]
D-arabino-Hex-5-enitol, 2,6-anhydro-5-deoxy-1,3-O-(1-methylethylidene)-6-C-[(S)-phenylsulfinyl]- [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: 554.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 289.0±30.1 °C
Index of Refraction: 1.636
Molar Refractivity: 79.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.32
ACD/KOC (pH 5.5): 82.07
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.32
ACD/KOC (pH 7.4): 82.07
Polar Surface Area: 84 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 65.0±5.0 dyne/cm
Molar Volume: 222.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement