ChemSpider 2D Image | Methyl (5R)-5-[(1S,2S)-2-chloro-1-({[(2S,4R)-4-ethyl-2-piperidinyl]carbonyl}amino)propyl]-1-thio-alpha-D-xylopyranoside | C17H31ClN2O5S

Methyl (5R)-5-[(1S,2S)-2-chloro-1-({[(2S,4R)-4-ethyl-2-piperidinyl]carbonyl}amino)propyl]-1-thio-α-D-xylopyranoside

  • Molecular FormulaC17H31ClN2O5S
  • Average mass410.956 Da
  • Monoisotopic mass410.164215 Da
  • ChemSpider ID25995830

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(5R)-5-[(1S,2S)-2-Chloro-1-({[(2S,4R)-4-éthyl-2-pipéridinyl]carbonyl}amino)propyl]-1-thio-α-D-xylopyranoside de méthyle [French] [ACD/IUPAC Name]
L-threo-α-D-gluco-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-4-ethyl-2-piperidinyl]carbonyl]amino]-1-thio- [ACD/Index Name]
Methyl (5R)-5-[(1S,2S)-2-chloro-1-({[(2S,4R)-4-ethyl-2-piperidinyl]carbonyl}amino)propyl]-1-thio-α-D-xylopyranoside [ACD/IUPAC Name]
Methyl-(5R)-5-[(1S,2S)-2-chlor-1-({[(2S,4R)-4-ethyl-2-piperidinyl]carbonyl}amino)propyl]-1-thio-α-D-xylopyranosid [German] [ACD/IUPAC Name]
(2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-ethylpiperidine-2-carboxamide
Pirlimycin [INN] [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 643.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.8±6.0 kJ/mol
Flash Point: 343.2±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 103.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.74
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.13
ACD/KOC (pH 7.4): 123.92
Polar Surface Area: 136 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 312.3±5.0 cm3

Click to predict properties on the Chemicalize site


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