ChemSpider 2D Image | 5-Hydroxy-3-(4-nitrophenoxy)-4-oxo-4H-chromen-7-yl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alloisoleucinate | C26H28N2O10

5-Hydroxy-3-(4-nitrophenoxy)-4-oxo-4H-chromen-7-yl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alloisoleucinate

  • Molecular FormulaC26H28N2O10
  • Average mass528.508 Da
  • Monoisotopic mass528.174377 Da
  • ChemSpider ID4619505

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

5-Hydroxy-3-(4-nitrophenoxy)-4-oxo-4H-chromen-7-yl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alloisoleucinate [ACD/IUPAC Name]
5-Hydroxy-3-(4-nitrophenoxy)-4-oxo-4H-chromen-7-yl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alloisoleucinat [German] [ACD/IUPAC Name]
D-Alloisoleucine, N-[(1,1-dimethylethoxy)carbonyl]-, 5-hydroxy-3-(4-nitrophenoxy)-4-oxo-4H-1-benzopyran-7-yl ester [ACD/Index Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-D-alloisoleucinate de 5-hydroxy-3-(4-nitrophénoxy)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]

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

ZINC02272775 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 693.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 373.2±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 132.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.79
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 3699.23
ACD/KOC (pH 5.5): 9626.24
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 83.63
ACD/KOC (pH 7.4): 217.63
Polar Surface Area: 166 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 394.1±3.0 cm3

Click to predict properties on the Chemicalize site


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