ChemSpider 2D Image | (3S,6S)-6-(4-Aminobutyl)-3-isopropyl-13-(10-methylundecyl)-1,4,7,10-tetraazacyclotridecane-2,5,8,11-tetrone | C28H53N5O4

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

  • Molecular FormulaC28H53N5O4
  • Average mass523.752 Da
  • Monoisotopic mass523.409729 Da
  • ChemSpider ID425258

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3S,6S)-6-(4-Aminobutyl)-3-isopropyl-13-(10-methylundecyl)-1,4,7,10-tetraazacyclotridecan-2,5,8,11-tetron [German] [ACD/IUPAC Name]
(3S,6S)-6-(4-Aminobutyl)-3-isopropyl-13-(10-methylundecyl)-1,4,7,10-tetraazacyclotridecane-2,5,8,11-tetrone [ACD/IUPAC Name]
(3S,6S)-6-(4-Aminobutyl)-3-isopropyl-13-(10-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-(4-aminobutyl)-3-(1-methylethyl)-13-(10-methylundecyl)-, (3S,6S)- [ACD/Index Name]
Rhodopeptin B5

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

AIDS106703 [DBID]
AIDS-106703 [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: 807.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 442.0±34.3 °C
Index of Refraction: 1.467
Molar Refractivity: 147.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 2.87
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 530.1±3.0 cm3

Click to predict properties on the Chemicalize site


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