ChemSpider 2D Image | 1,3-Benzoxazol-2-yl 3,4,6-tri-O-acetyl-2-O-benzyl-1-thio-beta-D-glucopyranoside | C26H27NO9S

1,3-Benzoxazol-2-yl 3,4,6-tri-O-acetyl-2-O-benzyl-1-thio-β-D-glucopyranoside

  • Molecular FormulaC26H27NO9S
  • Average mass529.559 Da
  • Monoisotopic mass529.140625 Da
  • ChemSpider ID9960542

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1,3-Benzoxazol-2-yl 3,4,6-tri-O-acetyl-2-O-benzyl-1-thio-β-D-glucopyranoside [ACD/IUPAC Name]
1,3-Benzoxazol-2-yl-3,4,6-tri-O-acetyl-2-O-benzyl-1-thio-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3,4,6-Tri-O-acétyl-2-O-benzyl-1-thio-β-D-glucopyranoside de 1,3-benzoxazol-2-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-benzoxazolyl 2-O-(phenylmethyl)-1-thio-, 3,4,6-triacetate [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: 639.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.4±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 134.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3682.95
ACD/KOC (pH 5.5): 12424.36
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3683.02
ACD/KOC (pH 7.4): 12424.62
Polar Surface Area: 149 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 389.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement