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Search term: GCYOKNSMKQYQAG-YWAVYKJCSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(2S)-6-Amino-1-oxo-1-(1-pyrrolidinyl)-2-hexanyl]-4-(beta-D-galactopyranosyloxy)benzamide | C23H35N3O8

N-[(2S)-6-Amino-1-oxo-1-(1-pyrrolidinyl)-2-hexanyl]-4-(β-D-galactopyranosyloxy)benzamide

  • Molecular FormulaC23H35N3O8
  • Average mass481.539 Da
  • Monoisotopic mass481.242401 Da
  • ChemSpider ID59053760

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

Benzamide, N-[(1S)-5-amino-1-(1-pyrrolidinylcarbonyl)pentyl]-4-(β-D-galactopyranosyloxy)- [ACD/Index Name]
N-[(2S)-6-Amino-1-oxo-1-(1-pyrrolidinyl)-2-hexanyl]-4-(β-D-galactopyranosyloxy)benzamid [German] [ACD/IUPAC Name]
N-[(2S)-6-Amino-1-oxo-1-(1-pyrrolidinyl)-2-hexanyl]-4-(β-D-galactopyranosyloxy)benzamide [ACD/IUPAC Name]
N-[(2S)-6-Amino-1-oxo-1-(1-pyrrolidinyl)-2-hexanyl]-4-(β-D-galactopyranosyloxy)benzamide [French] [ACD/IUPAC Name]
N-[(2s)-6-Amino-1-Oxo-1-(Pyrrolidin-1-Yl)hexan-2-Yl]-4-(β-D-Galactopyranosyloxy)benzamide
G0P

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

Density: 1.4±0.1 g/cm3
Boiling Point: 794.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 434.1±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 122.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -1.70
ACD/LogD (pH 5.5): -4.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 68.5±3.0 dyne/cm
Molar Volume: 352.9±3.0 cm3

Click to predict properties on the Chemicalize site


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