Found 39 results

Search term: MF = 'C_{21}H_{39}N_{3}O_{5}'
ChemSpider 2D Image | N~2~-Tetradecanoylasparaginylalanine | C21H39N3O5

N2-Tetradecanoylasparaginylalanine

  • Molecular FormulaC21H39N3O5
  • Average mass413.552 Da
  • Monoisotopic mass413.288971 Da
  • ChemSpider ID65324583

More details:

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

Alanine, N2-(1-oxotetradecyl)asparaginyl- [ACD/Index Name]
N2-Tetradecanoylasparaginylalanin [German] [ACD/IUPAC Name]
N2-Tetradecanoylasparaginylalanine [ACD/IUPAC Name]
N2-Tetradecanoylasparaginylalanine [French] [ACD/IUPAC Name]
Precolibactin-413

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

Density: 1.1±0.1 g/cm3
Boiling Point: 713.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 113.6±6.0 kJ/mol
Flash Point: 385.5±32.9 °C
Index of Refraction: 1.494
Molar Refractivity: 111.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 4.10
ACD/KOC (pH 5.5): 20.16
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.10
Polar Surface Area: 139 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 383.2±3.0 cm3

Click to predict properties on the Chemicalize site


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