ChemSpider 2D Image | [21-(3-Amino-3-oxopropyl)-3,12,18-tri-sec-butyl-6,15-diisobutyl-25-(9-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-9-yl]acetic acid | C54H96N8O12

[21-(3-Amino-3-oxopropyl)-3,12,18-tri-sec-butyl-6,15-diisobutyl-25-(9-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-9-yl]acetic acid

  • Molecular FormulaC54H96N8O12
  • Average mass1049.386 Da
  • Monoisotopic mass1048.714722 Da
  • ChemSpider ID78444132

More details:

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

[21-(3-Amino-3-oxopropyl)-3,12,18-tri-sec-butyl-6,15-diisobutyl-25-(9-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-9-yl]acetic acid [ACD/IUPAC Name]
[21-(3-Amino-3-oxopropyl)-3,12,18-tri-sec-butyl-6,15-diisobutyl-25-(9-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-9-yl]essigsäure [German] [ACD/IUPAC Name]
1-Oxa-4,7,10,13,16,19,22-heptaazacyclopentacosane-9-acetic acid, 21-(3-amino-3-oxopropyl)-3,12,18-tris(1-methylpropyl)-6,15-bis(2-methylpropyl)-25-(9-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo- [ACD/Index Name]
Acide [21-(3-amino-3-oxopropyl)-3,12,18-tri-sec-butyl-6,15-diisobutyl-25-(9-méthylundécyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-9-yl]acétique [French] [ACD/IUPAC Name]
Lichenysin-G9a

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

Density: 1.0±0.1 g/cm3
Boiling Point: 1286.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 208.3±6.0 kJ/mol
Flash Point: 731.8±34.3 °C
Index of Refraction: 1.465
Molar Refractivity: 281.1±0.3 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 4
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 28.07
ACD/KOC (pH 5.5): 141.13
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.63
Polar Surface Area: 310 Å2
Polarizability: 111.4±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 1016.6±3.0 cm3

Click to predict properties on the Chemicalize site


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