ChemSpider 2D Image | Methyl 2-O-acetyl-3,4-bis-O-(2,2-dimethylpropanoyl)-1-O-[(1E)-2,2,2-trichloroethanimidoyl]-alpha-L-idopyranuronate | C21H30Cl3NO10

Methyl 2-O-acetyl-3,4-bis-O-(2,2-dimethylpropanoyl)-1-O-[(1E)-2,2,2-trichloroethanimidoyl]-α-L-idopyranuronate

  • Molecular FormulaC21H30Cl3NO10
  • Average mass562.823 Da
  • Monoisotopic mass561.093506 Da
  • ChemSpider ID9928049

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-O-Acétyl-3,4-bis-O-(2,2-diméthylpropanoyl)-1-O-[(1E)-2,2,2-trichloroethanimidoyl]-α-L-idopyranuronate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-O-acetyl-3,4-bis-O-(2,2-dimethylpropanoyl)-1-O-[(1E)-2,2,2-trichloroethanimidoyl]-α-L-idopyranuronate [ACD/IUPAC Name]
Methyl-2-O-acetyl-3,4-bis-O-(2,2-dimethylpropanoyl)-1-O-[(1E)-2,2,2-trichlorethanimidoyl]-α-L-idopyranuronat [German] [ACD/IUPAC Name]
α-L-Idopyranuronic acid, 1-O-[(1E)-2,2,2-trichloro-1-iminoethyl]-, methyl ester, 2-acetate 3,4-bis(2,2-dimethylpropanoate) [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: 501.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 257.1±32.9 °C
Index of Refraction: 1.528
Molar Refractivity: 124.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4230.91
ACD/KOC (pH 5.5): 13720.99
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4231.23
ACD/KOC (pH 7.4): 13722.03
Polar Surface Area: 148 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 41.8±7.0 dyne/cm
Molar Volume: 403.6±7.0 cm3

Click to predict properties on the Chemicalize site


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