ChemSpider 2D Image | N-(6-Aminohexyl)-2-oxo-7-(beta-D-talopyranosyloxy)-2H-chromene-3-carboxamide | C22H30N2O9

N-(6-Aminohexyl)-2-oxo-7-(β-D-talopyranosyloxy)-2H-chromene-3-carboxamide

  • Molecular FormulaC22H30N2O9
  • Average mass466.482 Da
  • Monoisotopic mass466.195129 Da
  • ChemSpider ID25994578

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2H-1-Benzopyran-3-carboxamide, N-(6-aminohexyl)-2-oxo-7-(β-D-talopyranosyloxy)- [ACD/Index Name]
N-(6-Aminohexyl)-2-oxo-7-(β-D-talopyranosyloxy)-2H-chromen-3-carboxamid [German] [ACD/IUPAC Name]
N-(6-Aminohexyl)-2-oxo-7-(β-D-talopyranosyloxy)-2H-chromene-3-carboxamide [ACD/IUPAC Name]
N-(6-Aminohexyl)-2-oxo-7-(β-D-talopyranosyloxy)-2H-chromène-3-carboxamide [French] [ACD/IUPAC Name]
N-(6-aminohexyl)-2-oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromene-3-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 806.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.0±3.0 kJ/mol
Flash Point: 441.6±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 115.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -1.53
ACD/LogD (pH 5.5): -4.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 181 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 71.0±3.0 dyne/cm
Molar Volume: 328.4±3.0 cm3

Click to predict properties on the Chemicalize site


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