ChemSpider 2D Image | 2-{[(5R)-5-{(1R)-2-Methoxy-1-[(1-methyl-L-prolyl)amino]propyl}-beta-L-arabinopyranosyl]thio}ethyl salicylate | C24H36N2O9S

2-{[(5R)-5-{(1R)-2-Methoxy-1-[(1-methyl-L-prolyl)amino]propyl}-β-L-arabinopyranosyl]thio}ethyl salicylate

  • Molecular FormulaC24H36N2O9S
  • Average mass528.616 Da
  • Monoisotopic mass528.214172 Da
  • ChemSpider ID8545105

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

2-{[(5R)-5-{(1R)-2-Methoxy-1-[(1-methyl-L-prolyl)amino]propyl}-β-L-arabinopyranosyl]thio}ethyl salicylate [ACD/IUPAC Name]
2-{[(5R)-5-{(1R)-2-Methoxy-1-[(1-methyl-L-prolyl)amino]propyl}-β-L-arabinopyranosyl]thio}ethylsalicylat [German] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-, 2-[[(7ξ)-6,8-dideoxy-7-O-methyl-6-[[[(2S)-1-methyl-2-pyrrolidinyl]carbonyl]amino]-D-glycero-α-D-galacto-octopyranosyl]thio]ethyl ester [ACD/Index Name]
Salicylate de 2-{[(5R)-5-{(1R)-2-méthoxy-1-[(1-méthyl-L-prolyl)amino]propyl}-β-L-arabinopyranosyl]thio}éthyle [French] [ACD/IUPAC Name]
Celesticetin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 748.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 406.6±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 133.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.46
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 1.83
ACD/KOC (pH 7.4): 25.94
Polar Surface Area: 183 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 69.1±5.0 dyne/cm
Molar Volume: 379.5±5.0 cm3

Click to predict properties on the Chemicalize site


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