ChemSpider 2D Image | N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-BETA-BENZAMIDE | C23H37N5O9

N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-β-BENZAMIDE

  • Molecular FormulaC23H37N5O9
  • Average mass527.568 Da
  • Monoisotopic mass527.259155 Da
  • ChemSpider ID394918

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Benzamide, N-[3-[4-(3-aminopropyl)-1-piperazinyl]propyl]-3-(β-D-galactopyranosyloxy)-5-nitro- [ACD/Index Name]
N-{3-[4-(3-Aminopropyl)-1-piperazinyl]propyl}-3-(β-D-galactopyranosyloxy)-5-nitrobenzamid [German] [ACD/IUPAC Name]
N-{3-[4-(3-Aminopropyl)-1-piperazinyl]propyl}-3-(β-D-galactopyranosyloxy)-5-nitrobenzamide [ACD/IUPAC Name]
N-{3-[4-(3-Aminopropyl)-1-pipérazinyl]propyl}-3-(β-D-galactopyranosyloxy)-5-nitrobenzamide [French] [ACD/IUPAC Name]
N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-β-BENZAMIDE
15B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 779.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 425.3±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 132.5±0.3 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -2.15
ACD/LogD (pH 5.5): -5.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 207 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 66.2±3.0 dyne/cm
Molar Volume: 384.1±3.0 cm3

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