ChemSpider 2D Image | Methyl (5R)-5-[(1S,2S)-2-chloro-1-{[(4R)-4-ethyl-1-methyl-L-prolyl]amino}propyl]-5-thio-beta-L-arabinopyranoside | C17H31ClN2O5S

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

  • Molecular FormulaC17H31ClN2O5S
  • Average mass410.956 Da
  • Monoisotopic mass410.164215 Da
  • ChemSpider ID38236351

  • 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-{[(4R)-4-éthyl-1-méthyl-L-prolyl]amino}propyl]-5-thio-β-L-arabinopyranoside de méthyle [French] [ACD/IUPAC Name]
L-threo-α-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-4-ethyl-1-methyl-2-pyrrolidinyl]carbonyl]amino]-5-thio- [ACD/Index Name]
Methyl (5R)-5-[(1S,2S)-2-chloro-1-{[(4R)-4-ethyl-1-methyl-L-prolyl]amino}propyl]-5-thio-β-L-arabinopyranoside [ACD/IUPAC Name]
Methyl-(5R)-5-[(1S,2S)-2-chlor-1-{[(4R)-4-ethyl-1-methyl-L-prolyl]amino}propyl]-5-thio-β-L-arabinopyranosid [German] [ACD/IUPAC Name]
[18323-43-8] [RN]
18323-43-8 [RN]
Clindamycin B
MFCD22572719

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 590.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.8 mmHg at 25°C
    Enthalpy of Vaporization: 101.1±6.0 kJ/mol
    Flash Point: 310.6±30.1 °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: 1.28
    ACD/LogD (pH 5.5): -1.25
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.39
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 12.96
    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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