ChemSpider 2D Image | Benzyl 2-acetamido-2-deoxy-4,6-bis-O-(2,2-dimethylpropanoyl)-3-O-(1H-imidazol-1-ylcarbonothioyl)-alpha-D-galactopyranoside | C29H39N3O8S

Benzyl 2-acetamido-2-deoxy-4,6-bis-O-(2,2-dimethylpropanoyl)-3-O-(1H-imidazol-1-ylcarbonothioyl)-α-D-galactopyranoside

  • Molecular FormulaC29H39N3O8S
  • Average mass589.700 Da
  • Monoisotopic mass589.245789 Da
  • ChemSpider ID74109504

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Acétamido-2-désoxy-4,6-bis-O-(2,2-diméthylpropanoyl)-3-O-(1H-imidazol-1-ylcarbonothioyl)-α-D-galactopyranoside de benzyle [French] [ACD/IUPAC Name]
Benzyl 2-acetamido-2-deoxy-4,6-bis-O-(2,2-dimethylpropanoyl)-3-O-(1H-imidazol-1-ylcarbonothioyl)-α-D-galactopyranoside [ACD/IUPAC Name]
Benzyl-2-acetamido-2-desoxy-4,6-bis-O-(2,2-dimethylpropanoyl)-3-O-(1H-imidazol-1-ylcarbonothioyl)-α-D-galactopyranosid [German] [ACD/IUPAC Name]
α-D-Galactopyranoside, phenylmethyl 2-(acetylamino)-2-deoxy-3-O-(1H-imidazol-1-ylthioxomethyl)-, 4,6-bis(2,2-dimethylpropanoate) [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.573
Molar Refractivity: 155.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1834.14
ACD/KOC (pH 5.5): 7541.46
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1835.69
ACD/KOC (pH 7.4): 7547.86
Polar Surface Area: 159 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 470.9±7.0 cm3

Click to predict properties on the Chemicalize site


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