ChemSpider 2D Image | Methyl 5-{2-chloro-1-[(4-ethyl-1-methyl-L-prolyl)amino]propyl}-1-thio-alpha-L-glycero-pentopyranoside | C17H31ClN2O5S

Methyl 5-{2-chloro-1-[(4-ethyl-1-methyl-L-prolyl)amino]propyl}-1-thio-α-L-glycero-pentopyranoside

  • Molecular FormulaC17H31ClN2O5S
  • Average mass410.956 Da
  • Monoisotopic mass410.164215 Da
  • ChemSpider ID57426575

  • defined stereocentres - 3 of 9 defined stereocentres

More details:

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

5-{2-Chloro-1-[(4-éthyl-1-méthyl-L-prolyl)amino]propyl}-1-thio-α-L-glycéro-pentopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 5-{2-chloro-1-[(4-ethyl-1-methyl-L-prolyl)amino]propyl}-1-thio-α-L-glycero-pentopyranoside [ACD/IUPAC Name]
Methyl-5-{2-chlor-1-[(4-ethyl-1-methyl-L-prolyl)amino]propyl}-1-thio-α-L-glycero-pentopyranosid [German] [ACD/IUPAC Name]
α-L-glycero-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[[(2S)-4-ethyl-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio- [ACD/Index Name]
(2S-trans)-Methyl 7-chloro-6,7,8-trideoxy-6-[[(4-ethyl-1-methyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-L-threo-a-D-galactooctopyranoside
Methyl 7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-4-ethyl-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-L-threo-a-D-galactooctopyranoside

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

Density: 1.3±0.1 g/cm3
Boiling Point: 621.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.5±6.0 kJ/mol
Flash Point: 329.3±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 103.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.29
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 1.23
ACD/KOC (pH 7.4): 20.36
Polar Surface Area: 128 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 311.1±5.0 cm3

Click to predict properties on the Chemicalize site


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