ChemSpider 2D Image | 3-[5,8-bis(2-amino-2-oxo-ethyl)-17,20-bis(1-hydroxyethyl)-2-(8-hydroxytetradecyl)-23-(3-hydroxytridecyl)-11-methyl-3,6,9,12,15,18,21,24,27,31-decaoxo-1,4,7,10,13,16,19,22,25,28-decazacyclohentriacont-14-yl]-2-hydroxy-propanamide | C60H107N13O18

3-[5,8-bis(2-amino-2-oxo-ethyl)-17,20-bis(1-hydroxyethyl)-2-(8-hydroxytetradecyl)-23-(3-hydroxytridecyl)-11-methyl-3,6,9,12,15,18,21,24,27,31-decaoxo-1,4,7,10,13,16,19,22,25,28-decazacyclohentriacont-14-yl]-2-hydroxy-propanamide

  • Molecular FormulaC60H107N13O18
  • Average mass1298.568 Da
  • Monoisotopic mass1297.785645 Da
  • ChemSpider ID8009372

More details:

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

3-[5,8-Bis(2-amino-2-oxoethyl)-17,20-bis(1-hydroxyethyl)-2-(8-hydroxytetradecyl)-23-(3-hydroxytridecyl)-11-methyl-3,6,9,12,15,18,21,24,27,31-decaoxo-1,4,7,10,13,16,19,22,25,28-decaazacyclohentriaconta n-14-yl]-2-hydroxypropanamid [German] [ACD/IUPAC Name]
3-[5,8-Bis(2-amino-2-oxoéthyl)-17,20-bis(1-hydroxyéthyl)-2-(8-hydroxytétradécyl)-23-(3-hydroxytridécyl)-11-méthyl-3,6,9,12,15,18,21,24,27,31-décaoxo-1,4,7,10,13,16,19,22,25,28-décaazacyclohéntriaconta n-14-yl]-2-hydroxypropanamide [French] [ACD/IUPAC Name]
Arborcandin E

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1666.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 294.5±6.0 kJ/mol
Flash Point: 961.4±34.3 °C
Index of Refraction: 1.491
Molar Refractivity: 330.9±0.3 cm3
#H bond acceptors: 31
#H bond donors: 21
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 3
ACD/LogP: -3.84
ACD/LogD (pH 5.5): -3.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 521 Å2
Polarizability: 131.2±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 1141.5±3.0 cm3

Click to predict properties on the Chemicalize site


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