ChemSpider 2D Image | (1S,6R)-2-{N-[(9H-Fluoren-9-ylmethoxy)carbonyl]isoleucyl}-2-azabicyclo[4.1.0]heptane-1-carboxylic acid | C28H32N2O5

(1S,6R)-2-{N-[(9H-Fluoren-9-ylmethoxy)carbonyl]isoleucyl}-2-azabicyclo[4.1.0]heptane-1-carboxylic acid

  • Molecular FormulaC28H32N2O5
  • Average mass476.564 Da
  • Monoisotopic mass476.231110 Da
  • ChemSpider ID65642313

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1S,6R)-2-{N-[(9H-Fluoren-9-ylmethoxy)carbonyl]isoleucyl}-2-azabicyclo[4.1.0]heptan-1-carbonsäure [German] [ACD/IUPAC Name]
(1S,6R)-2-{N-[(9H-Fluoren-9-ylmethoxy)carbonyl]isoleucyl}-2-azabicyclo[4.1.0]heptane-1-carboxylic acid [ACD/IUPAC Name]
2-Azabicyclo[4.1.0]heptane-1-carboxylic acid, 2-[2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-methyl-1-oxopentyl]-, (1S,6R)- [ACD/Index Name]
Acide (1S,6R)-2-{N-[(9H-fluorén-9-ylméthoxy)carbonyl]isoleucyl}-2-azabicyclo[4.1.0]heptane-1-carboxylique [French] [ACD/IUPAC Name]
2227931-00-0 [RN]
rac-(1R,6S)-2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanoyl]-2-azabicyclo[4.1.0]heptane-1-carboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 703.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 379.0±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 129.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 28.16
ACD/KOC (pH 5.5): 111.07
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.89
Polar Surface Area: 96 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 371.0±3.0 cm3

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