ChemSpider 2D Image | Methyl (5R)-5-[(1R)-2-chloro-1-({[(1S,2S,4R)-1-methyl-1-oxido-4-propyl-2-pyrrolidinyl]carbonyl}amino)propyl]-1-thio-beta-L-arabinopyranoside | C18H33ClN2O6S

Methyl (5R)-5-[(1R)-2-chloro-1-({[(1S,2S,4R)-1-methyl-1-oxido-4-propyl-2-pyrrolidinyl]carbonyl}amino)propyl]-1-thio-β-L-arabinopyranoside

  • Molecular FormulaC18H33ClN2O6S
  • Average mass440.982 Da
  • Monoisotopic mass440.174774 Da
  • ChemSpider ID107447456

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(5R)-5-[(1R)-2-Chloro-1-({[(1S,2S,4R)-1-méthyl-1-oxydo-4-propyl-2-pyrrolidinyl]carbonyl}amino)propyl]-1-thio-β-L-arabinopyranoside de méthyle [French] [ACD/IUPAC Name]
L-glycero-α-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[[(1S,2S,4R)-1-methyl-1-oξdo-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-, (7ξ)- [ACD/Index Name]
Methyl (5R)-5-[(1R)-2-chloro-1-({[(1S,2S,4R)-1-methyl-1-oxido-4-propyl-2-pyrrolidinyl]carbonyl}amino)propyl]-1-thio-β-L-arabinopyranoside [ACD/IUPAC Name]
Methyl-(5R)-5-[(1R)-2-chlor-1-({[(1S,2S,4R)-1-methyl-1-oxido-4-propyl-2-pyrrolidinyl]carbonyl}amino)propyl]-1-thio-β-L-arabinopyranosid [German] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.87
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.73
Polar Surface Area: 141 Å2
Polarizability:
Surface Tension:
Molar Volume:

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