ChemSpider 2D Image | N-{(7R,8R)-8-[(2S,5S,8R,11S,14S,17S,20S,23R,26S,29S,32S)-5-Ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,8,10,16,20,23,25,28,31-decamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,1 6,19,22,25,28,31-undecaazacyclotritriacontan-2-yl]-8-hydroxy-7-methyloctyl}acetamide | C67H122N12O13

N-{(7R,8R)-8-[(2S,5S,8R,11S,14S,17S,20S,23R,26S,29S,32S)-5-Ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,8,10,16,20,23,25,28,31-decamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,1 6,19,22,25,28,31-undecaazacyclotritriacontan-2-yl]-8-hydroxy-7-methyloctyl}acetamide

  • Molecular FormulaC67H122N12O13
  • Average mass1303.758 Da
  • Monoisotopic mass1302.925415 Da
  • ChemSpider ID81368207

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

Acetamide, N-[(7R,8R)-8-[(2S,5S,8R,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-14,32-bis(1-methylethyl)-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27, 30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacont-2-yl]-8-hydroxy-7-methyloctyl]- [ACD/Index Name]
N-{(7R,8R)-8-[(2S,5S,8R,11S,14S,17S,20S,23R,26S,29S,32S)-5-Ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,8,10,16,20,23,25,28,31-decamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,1 6,19,22,25,28,31-undecaazacyclotritriacontan-2-yl]-8-hydroxy-7-methyloctyl}acetamid [German] [ACD/IUPAC Name]
N-{(7R,8R)-8-[(2S,5S,8R,11S,14S,17S,20S,23R,26S,29S,32S)-5-Ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,8,10,16,20,23,25,28,31-decamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,1 6,19,22,25,28,31-undecaazacyclotritriacontan-2-yl]-8-hydroxy-7-methyloctyl}acetamide [ACD/IUPAC Name]
N-{(7R,8R)-8-[(2S,5S,8R,11S,14S,17S,20S,23R,26S,29S,32S)-5-Éthyl-11,17,26,29-tétraisobutyl-14,32-diisopropyl-1,7,8,10,16,20,23,25,28,31-décaméthyl-3,6,9,12,15,18,21,24,27,30,33-undécaoxo-1,4,7,10,13,1 6,19,22,25,28,31-undécaazacyclotritriacontan-2-yl]-8-hydroxy-7-méthyloctyl}acétamide [French] [ACD/IUPAC Name]
1383420-08-3 [RN]
CRV431
N-[(7R,8R)-8-[(2S,5S,8R,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl]-8-hydroxy-7-methyloctyl]acetamide

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

Density: 1.0±0.1 g/cm3
Boiling Point: 1362.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 231.8±6.0 kJ/mol
Flash Point: 777.9±34.3 °C
Index of Refraction: 1.467
Molar Refractivity: 355.6±0.3 cm3
#H bond acceptors: 25
#H bond donors: 6
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.72
ACD/KOC (pH 5.5): 238.41
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.72
ACD/KOC (pH 7.4): 238.41
Polar Surface Area: 308 Å2
Polarizability: 141.0±0.5 10-24cm3
Surface Tension: 32.1±3.0 dyne/cm
Molar Volume: 1282.0±3.0 cm3

Click to predict properties on the Chemicalize site


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