ChemSpider 2D Image | trunkamide A | C43H63N7O8S

trunkamide A

  • Molecular FormulaC43H63N7O8S
  • Average mass838.067 Da
  • Monoisotopic mass837.445862 Da
  • ChemSpider ID7986985

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2S,5S,11S,14S,17S,20S,23R)-2-Benzyl-14-[(2S)-2-butanyl]-11-methyl-20-{(1R)-1-[(2-methyl-3-buten-2-yl)oxy]ethyl}-17-{[(2-methyl-3-buten-2-yl)oxy]methyl}-25-thia-3,9,12,15,18,21,26-heptaazatricyclo[21. ;2.1.05,9]hexacos-1(26)-en-4,10,13,16,19,22-hexon [German] [ACD/IUPAC Name]
(2S,5S,11S,14S,17S,20S,23R)-2-Benzyl-14-[(2S)-2-butanyl]-11-methyl-20-{(1R)-1-[(2-methyl-3-buten-2-yl)oxy]ethyl}-17-{[(2-methyl-3-buten-2-yl)oxy]methyl}-25-thia-3,9,12,15,18,21,26-heptaazatricyclo[21. ;2.1.05,9]hexacos-1(26)-ene-4,10,13,16,19,22-hexone [ACD/IUPAC Name]
(2S,5S,11S,14S,17S,20S,23R)-2-Benzyl-14-[(2S)-2-butanyl]-11-méthyl-20-{(1R)-1-[(2-méthyl-3-butén-2-yl)oxy]éthyl}-17-{[(2-méthyl-3-butén-2-yl)oxy]méthyl}-25-thia-3,9,12,15,18,21,26-heptaazatricyclo[21. ;2.1.05,9]hexacos-1(26)-ène-4,10,13,16,19,22-hexone [French] [ACD/IUPAC Name]
1H-7,4-Nitrilo-6H-pyrrolo[2,1-f][1,4,7,10,13,16,19]thiahexaazacyclodocosine-1,8,11,14,17,20(7H)-hexone, 10-[(1R)-1-[(1,1-dimethyl-2-propen-1-yl)oxy]ethyl]-13-[[(1,1-dimethyl-2-propen-1-yl)oxy]methyl]- 2,3,9,10,12,13,15,16,18,19,22,23,24,24a-tetradecahydro-19-methyl-16-[(1S)-1-methylpropyl]-3-(phenylmethyl)-, (3S,7R,10S,13S,16S,19S,24aS)- [ACD/Index Name]
trunkamide A
(2S,5S,11S,14S,17S,20S,23R)-2-benzyl-14-[(2S)-butan-2-yl]-11-methyl-20-[(1R)-1-[(2-methylbut-3-en-2-yl)oxy]ethyl]-17-{[(2-methylbut-3-en-2-yl)oxy]methyl}-25-thia-3,9,12,15,18,21,26-heptaazatricyclo[21.2.1.0?,?]hexacos-1(26)-ene-4,10,13,16,19,22-hexone
268215-68-5 [RN]
Trunkamide

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

nchembio.84-comp12 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1077.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 158.4±3.0 kJ/mol
Flash Point: 605.3±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 227.7±0.5 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 7.53
ACD/KOC (pH 5.5): 147.46
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.55
ACD/KOC (pH 7.4): 147.77
Polar Surface Area: 222 Å2
Polarizability: 90.3±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 660.6±7.0 cm3

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