Found 1 result

Search term: 157837 (Found by CSID)
ChemSpider 2D Image | desotamide | C35H52N8O7

desotamide

  • Molecular FormulaC35H52N8O7
  • Average mass696.837 Da
  • Monoisotopic mass696.395874 Da
  • ChemSpider ID157837

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

194660-14-5 [RN]
Cyclo(L-alloisoleucyl-L-asparaginylglycyl-L-tryptophyl-L-leucyl-D-leucyl) [ACD/Index Name] [ACD/IUPAC Name]
Cyclo(L-alloisoleucyl-L-asparaginylglycyl-L-tryptophyl-L-leucyl-D-leucyl) [German] [ACD/Index Name] [ACD/IUPAC Name]
Cyclo(L-alloisoleucyl-L-asparaginylglycyl-L-tryptophyl-L-leucyl-D-leucyl) [French] [ACD/Index Name] [ACD/IUPAC Name]
desotamide
desotamide A
2-[(2S,8S,11S,14R,17S)-17-[(2R)-BUTAN-2-YL]-8-(1H-INDOL-3-YLMETHYL)-11,14-BIS(2-METHYLPROPYL)-3,6,9,12,15,18-HEXAOXO-1,4,7,10,13,16-HEXAAZACYCLOOCTADECAN-2-YL]ACETAMIDE
2-[(2S,8S,11S,14R,17S)-17-[(2R)-butan-2-yl]-8-(1H-indol-3-ylmethyl)-11,14-bis(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1171.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 173.8±3.0 kJ/mol
Flash Point: 662.2±34.3 °C
Index of Refraction: 1.518
Molar Refractivity: 186.1±0.3 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 2.66
ACD/KOC (pH 5.5): 70.14
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.66
ACD/KOC (pH 7.4): 70.14
Polar Surface Area: 233 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 614.1±3.0 cm3

Click to predict properties on the Chemicalize site


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