ChemSpider 2D Image | (3S,6S)-6-(3-Aminopropyl)-3-isopropyl-13-(9-methylundecyl)-1,4,7,10-tetraazacyclotridecane-2,5,8,11-tetrone | C27H51N5O4

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

  • Molecular FormulaC27H51N5O4
  • Average mass509.725 Da
  • Monoisotopic mass509.394104 Da
  • ChemSpider ID425257

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(3S,6S)-6-(3-Aminopropyl)-3-isopropyl-13-(9-methylundecyl)-1,4,7,10-tetraazacyclotridecan-2,5,8,11-tetron [German] [ACD/IUPAC Name]
(3S,6S)-6-(3-Aminopropyl)-3-isopropyl-13-(9-methylundecyl)-1,4,7,10-tetraazacyclotridecane-2,5,8,11-tetrone [ACD/IUPAC Name]
(3S,6S)-6-(3-Aminopropyl)-3-isopropyl-13-(9-méthylundécyl)-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-(9-methylundecyl)-, (3S,6S)- [ACD/Index Name]
Rhodopeptin C4

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

AIDS106702 [DBID]
AIDS-106702 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 801.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 438.7±34.3 °C
Index of Refraction: 1.467
Molar Refractivity: 142.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.68
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 513.6±3.0 cm3

Click to predict properties on the Chemicalize site


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