Found 39 results

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

N-Dodecanoyl-L-alanyl-L-alanyl-L-alanine

  • Molecular FormulaC21H39N3O5
  • Average mass413.552 Da
  • Monoisotopic mass413.288971 Da
  • ChemSpider ID57568469

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Alanine, N-(1-oxododecyl)-L-alanyl-L-alanyl- [ACD/Index Name]
N-Dodecanoyl-L-alanyl-L-alanyl-L-alanin [German] [ACD/IUPAC Name]
N-Dodecanoyl-L-alanyl-L-alanyl-L-alanine [ACD/IUPAC Name]
N-Dodecanoyl-L-alanyl-L-alanyl-L-alanine [French] [ACD/IUPAC Name]
(S)-2-((S)-2-((S)-2-Dodecanamidopropanamido)propanamido)propanoic acid
90288-34-9 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 701.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 111.8±6.0 kJ/mol
Flash Point: 377.9±31.5 °C
Index of Refraction: 1.486
Molar Refractivity: 111.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 1.17
ACD/KOC (pH 5.5): 8.44
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 388.7±3.0 cm3

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