ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-isoleucyl-N-[(7R)-1,5-dioxa-9-thiaspiro[5.5]undec-7-yl]-L-phenylalaninamide | C28H43N3O6S

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-isoleucyl-N-[(7R)-1,5-dioxa-9-thiaspiro[5.5]undec-7-yl]-L-phenylalaninamide

  • Molecular FormulaC28H43N3O6S
  • Average mass549.722 Da
  • Monoisotopic mass549.287231 Da
  • ChemSpider ID8944321

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[(1,1-dimethylethoxy)carbonyl]-D-isoleucyl-N-[(7R)-1,5-dioxa-9-thiaspiro[5.5]undec-7-yl]- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-isoleucyl-N-[(7R)-1,5-dioxa-9-thiaspiro[5.5]undec-7-yl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-isoleucyl-N-[(7R)-1,5-dioxa-9-thiaspiro[5.5]undec-7-yl]-L-phenylalaninamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-D-isoleucyl-N-[(7R)-1,5-dioxa-9-thiaspiro[5.5]undéc-7-yl]-L-phénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 785.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 429.1±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 149.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1712.14
ACD/KOC (pH 5.5): 7180.66
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1711.74
ACD/KOC (pH 7.4): 7178.97
Polar Surface Area: 140 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 459.1±5.0 cm3

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