ChemSpider 2D Image | TCMDC-131575 | C25H34N2O7S

TCMDC-131575

  • Molecular FormulaC25H34N2O7S
  • Average mass506.612 Da
  • Monoisotopic mass506.208679 Da
  • ChemSpider ID24571556

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

N-[5-(2-{(1E)-3-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxy-2-butanyl]-2-oxiranyl}methyl)tetrahydro-2H-pyran-2-yl]-2-methyl-1-propen-1-yl}-1,3-oxazol-5-yl)-3-thienyl]acetamid (non-pr eferred name) [German] [ACD/IUPAC Name]
N-[5-(2-{(1E)-3-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxy-2-butanyl]-2-oxiranyl}methyl)tetrahydro-2H-pyran-2-yl]-2-methyl-1-propen-1-yl}-1,3-oxazol-5-yl)-3-thienyl]acetamide (non-p referred name) [ACD/IUPAC Name]
N-[5-(2-{(1E)-3-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxy-2-butanyl]-2-oxiranyl}méthyl)tétrahydro-2H-pyran-2-yl]-2-méthyl-1-propén-1-yl}-1,3-oxazol-5-yl)-3-thiényl]acétamide (non-p referred name) [French] [ACD/IUPAC Name]
N-[5-(2-{(1E)-3-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)tetrahydro-2H-pyran-2-yl]-2-methylprop-1-en-1-yl}-1,3-oxazol-5-yl)-3-thienyl]acetamide (non-preferred name)
TCMDC-131575
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.178137531 GlaxoSmithKline Malaria Set

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 133.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.17
ACD/KOC (pH 5.5): 170.00
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.17
ACD/KOC (pH 7.4): 170.02
Polar Surface Area: 166 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 382.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement