ChemSpider 2D Image | L-Isoleucyl-L-asparaginyl-L-phenylalanyl-L-alpha-aspartyl-L-phenylalanyl-L-asparaginyl-L-threonyl-L-isoleucine | C46H66N10O14

L-Isoleucyl-L-asparaginyl-L-phenylalanyl-L-α-aspartyl-L-phenylalanyl-L-asparaginyl-L-threonyl-L-isoleucine

  • Molecular FormulaC46H66N10O14
  • Average mass983.075 Da
  • Monoisotopic mass982.476013 Da
  • ChemSpider ID393237

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

L-Isoleucine, L-isoleucyl-L-asparaginyl-L-phenylalanyl-L-α-aspartyl-L-phenylalanyl-L-asparaginyl-L-threonyl- [ACD/Index Name]
L-Isoleucyl-L-asparaginyl-L-phenylalanyl-L-α-asparagyl-L-phenylalanyl-L-asparaginyl-L-threonyl-L-isoleucin [German] [ACD/IUPAC Name]
L-Isoleucyl-L-asparaginyl-L-phenylalanyl-L-α-aspartyl-L-phenylalanyl-L-asparaginyl-L-threonyl-L-isoleucine [ACD/IUPAC Name]
L-Isoleucyl-L-asparaginyl-L-phénylalanyl-L-α-aspartyl-L-phénylalanyl-L-asparaginyl-L-thréonyl-L-isoleucine [French] [ACD/IUPAC Name]
p

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

CCRIS 8681 [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: 1470.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 236.4±3.0 kJ/mol
Flash Point: 843.3±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 248.8±0.3 cm3
#H bond acceptors: 24
#H bond donors: 16
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: 2.38
ACD/LogD (pH 5.5): -3.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 411 Å2
Polarizability: 98.6±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 748.9±3.0 cm3

Click to predict properties on the Chemicalize site


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