ChemSpider 2D Image | Ethyl 2,4,6-tri-O-acetyl-3-O-benzyl-1-thio-beta-D-erythro-hexopyranoside | C21H28O8S

Ethyl 2,4,6-tri-O-acetyl-3-O-benzyl-1-thio-β-D-erythro-hexopyranoside

  • Molecular FormulaC21H28O8S
  • Average mass440.507 Da
  • Monoisotopic mass440.150482 Da
  • ChemSpider ID111308999
  • defined stereocentres - 3 of 5 defined stereocentres


More details:






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

2,4,6-Tri-O-acétyl-3-O-benzyl-1-thio-β-D-érythro-hexopyranoside d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2,4,6-tri-O-acetyl-3-O-benzyl-1-thio-β-D-erythro-hexopyranoside [ACD/IUPAC Name]
Ethyl-2,4,6-tri-O-acetyl-3-O-benzyl-1-thio-β-D-erythro-hexopyranosid [German] [ACD/IUPAC Name]
β-D-erythro-Hexopyranoside, ethyl 3-O-(phenylmethyl)-1-thio-, triacetate [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 531.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 256.4±18.1 °C
Index of Refraction: 1.539
Molar Refractivity: 111.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 569.82
ACD/KOC (pH 5.5): 3267.07
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 569.82
ACD/KOC (pH 7.4): 3267.07
Polar Surface Area: 123 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 354.6±5.0 cm3

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