ChemSpider 2D Image | 1-Deoxy-1-(methyl{[(8-methyl-2-oxo-4-propyl-2H-chromen-7-yl)oxy]acetyl}amino)-D-altritol | C22H31NO9

1-Deoxy-1-(methyl{[(8-methyl-2-oxo-4-propyl-2H-chromen-7-yl)oxy]acetyl}amino)-D-altritol

  • Molecular FormulaC22H31NO9
  • Average mass453.483 Da
  • Monoisotopic mass453.199890 Da
  • ChemSpider ID62315287

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-Deoxy-1-(methyl{[(8-methyl-2-oxo-4-propyl-2H-chromen-7-yl)oxy]acetyl}amino)-D-altritol [ACD/IUPAC Name]
1-Desoxy-1-(methyl{[(8-methyl-2-oxo-4-propyl-2H-chromen-7-yl)oxy]acetyl}amino)-D-altritol [German] [ACD/IUPAC Name]
1-Désoxy-1-(méthyl{2-[(8-méthyl-2-oxo-4-propyl-2H-chromén-7-yl)oxy]acétyl}amino)-D-altritol [French] [ACD/IUPAC Name]
D-Altritol, 1-deoxy-1-[methyl[2-[(8-methyl-2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]acetyl]amino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 770.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 419.5±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 113.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -0.36
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.76
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.76
Polar Surface Area: 157 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 334.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement