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Search term: PNKULEYXNOVYIS-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4'-[(2-Butyl-8-isoleucyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-3-yl)methyl]-2-biphenylcarboxylic acid | C31H40N4O4

4'-[(2-Butyl-8-isoleucyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-3-yl)methyl]-2-biphenylcarboxylic acid

  • Molecular FormulaC31H40N4O4
  • Average mass532.674 Da
  • Monoisotopic mass532.304932 Da
  • ChemSpider ID23197699

More details:

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

[1,1'-Biphenyl]-2-carboxylic acid, 4'-[[8-(2-amino-3-methyl-1-oxopentyl)-2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-3-yl]methyl]- [ACD/Index Name]
4'-[(2-Butyl-8-isoleucyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-3-yl)methyl]-2-biphenylcarbonsäure [German] [ACD/IUPAC Name]
4'-[(2-Butyl-8-isoleucyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-3-yl)methyl]-2-biphenylcarboxylic acid [ACD/IUPAC Name]
4'-[(2-butyl-8-isoleucyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-3-yl)methyl]biphenyl-2-carboxylic acid
Acide 4'-[(2-butyl-8-isoleucyl-4-oxo-1,3,8-triazaspiro[4.5]déc-1-én-3-yl)méthyl]-2-biphénylcarboxylique [French] [ACD/IUPAC Name]
4'-[8-(2-Amino-3-methyl-pentanoyl)-2-butyl-4-oxo-1,3,8-triaza-spiro[4.5]dec-1-en-3-ylmethyl]-biphenyl-2-carboxylic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 709.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 382.6±35.7 °C
Index of Refraction: 1.619
Molar Refractivity: 151.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 2.16
ACD/KOC (pH 5.5): 11.73
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 2.06
ACD/KOC (pH 7.4): 11.20
Polar Surface Area: 116 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 431.8±7.0 cm3

Click to predict properties on the Chemicalize site


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