ChemSpider 2D Image | N-{3-[4-(3-Aminopropyl)-1-piperazinyl]propyl}-3-(beta-D-glucopyranosyloxy)-5-[(2-thienylacetyl)amino]benzamide | C29H43N5O8S

N-{3-[4-(3-Aminopropyl)-1-piperazinyl]propyl}-3-(β-D-glucopyranosyloxy)-5-[(2-thienylacetyl)amino]benzamide

  • Molecular FormulaC29H43N5O8S
  • Average mass621.745 Da
  • Monoisotopic mass621.283203 Da
  • ChemSpider ID26330029

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Thiopheneacetamide, N-[3-[[[3-[4-(3-aminopropyl)-1-piperazinyl]propyl]amino]carbonyl]-5-(β-D-glucopyranosyloxy)phenyl]- [ACD/Index Name]
N-{3-[4-(3-Aminopropyl)-1-piperazinyl]propyl}-3-(β-D-glucopyranosyloxy)-5-[(2-thienylacetyl)amino]benzamid [German] [ACD/IUPAC Name]
N-{3-[4-(3-Aminopropyl)-1-piperazinyl]propyl}-3-(β-D-glucopyranosyloxy)-5-[(2-thienylacetyl)amino]benzamide [ACD/IUPAC Name]
N-{3-[4-(3-Aminopropyl)-1-pipérazinyl]propyl}-3-(β-D-glucopyranosyloxy)-5-{[2-(2-thiényl)acétyl]amino}benzamide [French] [ACD/IUPAC Name]
N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-(2-THIOPHEN-2-YL-ACETYLAMINO)-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE
N-{3-[4-(3-aminopropyl)piperazin-1-yl]propyl}-3-[2-(thiophen-2-yl)acetamido]-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 891.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.8±3.0 kJ/mol
Flash Point: 493.1±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 163.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -1.72
ACD/LogD (pH 5.5): -5.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 68.2±3.0 dyne/cm
Molar Volume: 455.5±3.0 cm3

Click to predict properties on the Chemicalize site


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