ChemSpider 2D Image | (1S)-1,5-Anhydro-2,3,4,6-tetra-O-benzyl-1-[(S)-phenylsulfinyl]-D-glucitol | C40H40O6S

(1S)-1,5-Anhydro-2,3,4,6-tetra-O-benzyl-1-[(S)-phenylsulfinyl]-D-glucitol

  • Molecular FormulaC40H40O6S
  • Average mass648.807 Da
  • Monoisotopic mass648.254578 Da
  • ChemSpider ID23078602

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-2,3,4,6-tetra-O-benzyl-1-[(S)-phenylsulfinyl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2,3,4,6-tetra-O-benzyl-1-[(S)-phenylsulfinyl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2,3,4,6-tétra-O-benzyl-1-[(S)-phénylsulfinyl]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-2,3,4,6-tetrakis-O-(phenylmethyl)-1-C-[(S)-phenylsulfinyl]-, (1S)- [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: 777.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 424.1±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 187.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 10.05
ACD/LogD (pH 5.5): 8.15
ACD/BCF (pH 5.5): 919823.69
ACD/KOC (pH 5.5): 646232.19
ACD/LogD (pH 7.4): 8.15
ACD/BCF (pH 7.4): 919823.69
ACD/KOC (pH 7.4): 646232.19
Polar Surface Area: 82 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 513.1±5.0 cm3

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