ChemSpider 2D Image | 3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 5-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-norleucinate | C30H37NO6

3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 5-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-norleucinate

  • Molecular FormulaC30H37NO6
  • Average mass507.618 Da
  • Monoisotopic mass507.262085 Da
  • ChemSpider ID71291928

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 5-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-norleucinate [ACD/IUPAC Name]
3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl-5-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-norleucinat [German] [ACD/IUPAC Name]
5-Méthyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-D-norleucinate de 3-benzyl-4,8-diméthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
D-Norleucine, N-[(1,1-dimethylethoxy)carbonyl]-5-methyl-, 4,8-dimethyl-2-oxo-3-(phenylmethyl)-2H-1-benzopyran-7-yl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 645.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.2±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 141.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.85
ACD/LogD (pH 5.5): 7.06
ACD/BCF (pH 5.5): 137503.20
ACD/KOC (pH 5.5): 165798.89
ACD/LogD (pH 7.4): 7.06
ACD/BCF (pH 7.4): 137467.13
ACD/KOC (pH 7.4): 165755.38
Polar Surface Area: 91 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 443.4±3.0 cm3

Click to predict properties on the Chemicalize site


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