ChemSpider 2D Image | (2xi)-2-({[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}amino)-2-deoxy-L-lyxo-hexose | C25H27ClN2O8

(2ξ)-2-({[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}amino)-2-deoxy-L-lyxo-hexose

  • Molecular FormulaC25H27ClN2O8
  • Average mass518.943 Da
  • Monoisotopic mass518.145569 Da
  • ChemSpider ID8159716

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2ξ)-2-({[1-(4-Chlorbenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}amino)-2-desoxy-L-lyxo-hexose [German] [ACD/IUPAC Name]
(2ξ)-2-({[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}amino)-2-deoxy-L-lyxo-hexose [ACD/IUPAC Name]
(2ξ)-2-({2-[1-(4-Chlorobenzoyl)-5-méthoxy-2-méthyl-1H-indol-3-yl]acétyl}amino)-2-désoxy-L-lyxo-hexose [French] [ACD/IUPAC Name]
L-lyxo-Hexose, 2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]amino]-2-deoxy-, (2ξ)- [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: 793.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 433.8±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 128.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 2.57
ACD/KOC (pH 5.5): 68.43
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.57
ACD/KOC (pH 7.4): 68.43
Polar Surface Area: 158 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 359.5±7.0 cm3

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