ChemSpider 2D Image | (3S,6S,13R)-6-(3-Aminopropyl)-3-isopropyl-13-(7-methylnonyl)-1,4,7,10-tetraazacyclotridecane-2,5,8,11-tetrone | C25H47N5O4

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

  • Molecular FormulaC25H47N5O4
  • Average mass481.672 Da
  • Monoisotopic mass481.362793 Da
  • ChemSpider ID78436327

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3S,6S,13R)-6-(3-Aminopropyl)-3-isopropyl-13-(7-methylnonyl)-1,4,7,10-tetraazacyclotridecan-2,5,8,11-tetron [German] [ACD/IUPAC Name]
(3S,6S,13R)-6-(3-Aminopropyl)-3-isopropyl-13-(7-methylnonyl)-1,4,7,10-tetraazacyclotridecane-2,5,8,11-tetrone [ACD/IUPAC Name]
(3S,6S,13R)-6-(3-Aminopropyl)-3-isopropyl-13-(7-méthylnonyl)-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)-3-(1-methylethyl)-13-(7-methylnonyl)-, (3S,6S,13R)- [ACD/Index Name]
Rhodopeptin C1

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

Density: 1.0±0.1 g/cm3
Boiling Point: 791.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.1±3.0 kJ/mol
Flash Point: 432.4±32.9 °C
Index of Refraction: 1.466
Molar Refractivity: 133.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 1.62
ACD/LogD (pH 5.5): -1.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 33.4±3.0 dyne/cm
Molar Volume: 480.6±3.0 cm3

Click to predict properties on the Chemicalize site


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