ChemSpider 2D Image | 3-(2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-alpha-D-talopyranosyl)-5-methyl-1,3-benzoxazol-2(3H)-one | C22H26N2O10

3-(2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-α-D-talopyranosyl)-5-methyl-1,3-benzoxazol-2(3H)-one

  • Molecular FormulaC22H26N2O10
  • Average mass478.449 Da
  • Monoisotopic mass478.158752 Da
  • ChemSpider ID62610428

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2(3H)-Benzoxazolone, 5-methyl-3-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-α-D-talopyranosyl]- [ACD/Index Name]
3-(2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-α-D-talopyranosyl)-5-methyl-1,3-benzoxazol-2(3H)-one [ACD/IUPAC Name]
3-(2-Acetamido-3,4,6-tri-O-acetyl-2-desoxy-α-D-talopyranosyl)-5-methyl-1,3-benzoxazol-2(3H)-on [German] [ACD/IUPAC Name]
3-(2-Acétamido-3,4,6-tri-O-acétyl-2-désoxy-α-D-talopyranosyl)-5-méthyl-1,3-benzoxazol-2(3H)-one [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.572
Molar Refractivity: 113.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.47
ACD/KOC (pH 5.5): 235.63
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.47
ACD/KOC (pH 7.4): 235.63
Polar Surface Area: 147 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 344.6±5.0 cm3

Click to predict properties on the Chemicalize site


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