ChemSpider 2D Image | kahalalide K | C46H65N7O11

kahalalide K

  • Molecular FormulaC46H65N7O11
  • Average mass892.049 Da
  • Monoisotopic mass891.474182 Da
  • ChemSpider ID8852504

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

1H-Pyrrolo[2,1-o][1,4,7,10,13,16,19]oxahexaazacyclodocosine-9-acetamide, docosahydro-23-hydroxy-12-[(4-hydroxyphenyl)methyl]-3-methyl-6-(1-methylethyl)-15-(6-methylheptyl)-1,4,7,10,13,17,20-heptaoxo-1 9-(phenylmethyl)-, (3R,6S,9R,12S,19R,23R,24aS)- [ACD/Index Name]
2-[(3R,6S,9R,12S,19R,23R,24aS)-19-Benzyl-23-hydroxy-12-(4-hydroxybenzyl)-6-isopropyl-3-methyl-15-(6-methylheptyl)-1,4,7,10,13,17,20-heptaoxodocosahydro-1H-pyrrolo[2,1-o][1,4,7,10,13,16,19]oxahexaazacy clodocosin-9-yl]acetamid [German] [ACD/IUPAC Name]
2-[(3R,6S,9R,12S,19R,23R,24aS)-19-Benzyl-23-hydroxy-12-(4-hydroxybenzyl)-6-isopropyl-3-methyl-15-(6-methylheptyl)-1,4,7,10,13,17,20-heptaoxodocosahydro-1H-pyrrolo[2,1-o][1,4,7,10,13,16,19]oxahexaazacy clodocosin-9-yl]acetamide [ACD/IUPAC Name]
2-[(3R,6S,9R,12S,19R,23R,24aS)-19-Benzyl-23-hydroxy-12-(4-hydroxybenzyl)-6-isopropyl-3-méthyl-15-(6-méthylheptyl)-1,4,7,10,13,17,20-heptaoxodocosahydro-1H-pyrrolo[2,1-o][1,4,7,10,13,16,19]oxahexaazacy clodocosin-9-yl]acétamide [French] [ACD/IUPAC Name]
kahalalide K

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1267.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 198.5±3.0 kJ/mol
Flash Point: 720.6±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 236.1±0.4 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -0.94
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.05
ACD/KOC (pH 5.5): 35.92
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 35.81
Polar Surface Area: 276 Å2
Polarizability: 93.6±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 688.0±5.0 cm3

Click to predict properties on the Chemicalize site


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