ChemSpider 2D Image | N~2~-[(3R)-3-Hydroxydodecanoyl]-L-asparaginyl-N~1~-[(2S)-4-methyl-1-oxo-2-pentanyl]-L-glutamamide | C27H49N5O7

N2-[(3R)-3-Hydroxydodecanoyl]-L-asparaginyl-N1-[(2S)-4-methyl-1-oxo-2-pentanyl]-L-glutamamide

  • Molecular FormulaC27H49N5O7
  • Average mass555.707 Da
  • Monoisotopic mass555.363220 Da
  • ChemSpider ID8004880

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Glutamamide, N2-[(3R)-3-hydroxy-1-oxododecyl]-L-asparaginyl-N1-[(1S)-1-formyl-3-methylbutyl]- [ACD/Index Name]
N2-[(3R)-3-Hydroxydodecanoyl]-L-asparaginyl-N1-[(2S)-4-methyl-1-oxo-2-pentanyl]-L-glutamamid [German] [ACD/IUPAC Name]
N2-[(3R)-3-Hydroxydodecanoyl]-L-asparaginyl-N1-[(2S)-4-methyl-1-oxo-2-pentanyl]-L-glutamamide [ACD/IUPAC Name]
N2-[(3R)-3-Hydroxydodecanoyl]-L-asparaginyl-N1-[(2S)-4-méthyl-1-oxo-2-pentanyl]-L-glutamamide [French] [ACD/IUPAC Name]
N2-[(3R)-3-hydroxydodecanoyl]-L-asparaginyl-N1-[(2S)-4-methyl-1-oxopentan-2-yl]-L-glutamamide
(S)-2-((S)-4-amino-2-((R)-3-hydroxydodecanamido)-4-oxobutanamido)-N1-((S)-4-methyl-1-oxopentan-2-yl)pentanediamide
fellutamide B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL265252/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 926.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 153.0±6.0 kJ/mol
Flash Point: 514.3±34.3 °C
Index of Refraction: 1.510
Molar Refractivity: 146.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.94
ACD/KOC (pH 5.5): 296.29
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.94
ACD/KOC (pH 7.4): 296.29
Polar Surface Area: 211 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 490.3±3.0 cm3

Click to predict properties on the Chemicalize site


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