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Search term: 78439781 (Found by CSID)
ChemSpider 2D Image | N-[(3R)-3-Hydroxyhexadecanoyl]glycyl-N-[(3S,6R,9R,12S,15R)-3,6,9,12-tetrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl]-L-lysinamide | C54H105N13O9

N-[(3R)-3-Hydroxyhexadecanoyl]glycyl-N-[(3S,6R,9R,12S,15R)-3,6,9,12-tetrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl]-L-lysinamide

  • Molecular FormulaC54H105N13O9
  • Average mass1080.493 Da
  • Monoisotopic mass1079.815796 Da
  • ChemSpider ID78439781

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

L-Lysinamide, N-[(3R)-3-hydroxy-1-oxohexadecyl]glycyl-N-[(3S,6R,9R,12S,15R)-3,6,9,12-tetrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadec-15-yl]- [ACD/Index Name]
N-[(3R)-3-Hydroxyhexadecanoyl]glycyl-N-[(3S,6R,9R,12S,15R)-3,6,9,12-tetrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl]-L-lysinamid [German] [ACD/IUPAC Name]
N-[(3R)-3-Hydroxyhexadecanoyl]glycyl-N-[(3S,6R,9R,12S,15R)-3,6,9,12-tetrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl]-L-lysinamide [ACD/IUPAC Name]
N-[(3R)-3-Hydroxyhexadecanoyl]glycyl-N-[(3S,6R,9R,12S,15R)-3,6,9,12-tétrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadécan-15-yl]-L-lysinamide [French] [ACD/IUPAC Name]
PAX7

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1337.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 227.0±6.0 kJ/mol
Flash Point: 762.9±34.3 °C
Index of Refraction: 1.554
Molar Refractivity: 299.7±0.4 cm3
#H bond acceptors: 22
#H bond donors: 19
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 0.04
ACD/LogD (pH 5.5): -7.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 383 Å2
Polarizability: 118.8±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 935.3±5.0 cm3

Click to predict properties on the Chemicalize site


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