ChemSpider 2D Image | (3S,6S,13R)-6-(3-Aminopropyl)-3-isopropyl-13-(9-methyldecyl)-1,4,7,10-tetraazacyclotridecane-2,5,8,11-tetrone | C26H49N5O4

(3S,6S,13R)-6-(3-Aminopropyl)-3-isopropyl-13-(9-methyldecyl)-1,4,7,10-tetraazacyclotridecane-2,5,8,11-tetrone

  • Molecular FormulaC26H49N5O4
  • Average mass495.698 Da
  • Monoisotopic mass495.378448 Da
  • ChemSpider ID78437613

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,6S,13R)-6-(3-Aminopropyl)-3-isopropyl-13-(9-methyldecyl)-1,4,7,10-tetraazacyclotridecan-2,5,8,11-tetron [German] [ACD/IUPAC Name]
(3S,6S,13R)-6-(3-Aminopropyl)-3-isopropyl-13-(9-methyldecyl)-1,4,7,10-tetraazacyclotridecane-2,5,8,11-tetrone [ACD/IUPAC Name]
(3S,6S,13R)-6-(3-Aminopropyl)-3-isopropyl-13-(9-méthyldécyl)-1,4,7,10-tétraazacyclotridécane-2,5,8,11-tétrone [French] [ACD/IUPAC Name]
1,4,7,10-Tetraazacyclotridecane-2,5,8,11-tetrone, 6-(3-aminopropyl)-13-(9-methyldecyl)-3-(1-methylethyl)-, (3S,6S,13R)- [ACD/Index Name]
Rhodopeptin C3

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

Density: 1.0±0.1 g/cm3
Boiling Point: 796.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 435.4±32.9 °C
Index of Refraction: 1.466
Molar Refractivity: 137.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 2.15
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 33.4±3.0 dyne/cm
Molar Volume: 497.1±3.0 cm3

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