ChemSpider 2D Image | Methyl (5R)-5-[(1R,2R)-2-chloro-1-({hydroxy[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]methylene}amino)propyl]-1-thio-beta-L-arabinopyranoside | C18H33ClN2O5S

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

  • Molecular FormulaC18H33ClN2O5S
  • Average mass424.983 Da
  • Monoisotopic mass424.179871 Da
  • ChemSpider ID57643437

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(5R)-5-[(1R,2R)-2-Chloro-1-({hydroxy[(2S,4R)-1-méthyl-4-propyl-2-pyrrolidinyl]méthylène}amino)propyl]-1-thio-β-L-arabinopyranoside de méthyle [French] [ACD/IUPAC Name]
D-threo-α-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[hydroxy[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]methylene]amino]-1-thio- [ACD/Index Name]
Methyl (5R)-5-[(1R,2R)-2-chloro-1-({hydroxy[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]methylene}amino)propyl]-1-thio-β-L-arabinopyranoside [ACD/IUPAC Name]
Methyl-(5R)-5-[(1R,2R)-2-chlor-1-({hydroxy[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]methylen}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: 1.4±0.1 g/cm3
Boiling Point: 591.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.3±6.0 kJ/mol
Flash Point: 311.8±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 103.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.80
Polar Surface Area: 131 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 296.7±7.0 cm3

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