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Search term: 61708710 (Found by CSID)
ChemSpider 2D Image | kohamamide A | C41H67N5O9

kohamamide A

  • Molecular FormulaC41H67N5O9
  • Average mass773.999 Da
  • Monoisotopic mass773.493896 Da
  • ChemSpider ID61708710

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3S,6S,9S,13S,16S,19S,24aS)-19-[(2S)-2-Butanyl]-3-isobutyl-13,16-diisopropyl-6,10,10,15-tetramethyl-9-(4-pentin-1-yl)dodecahydro-1H,9H-pyrrolo[2,1-i][1,13,4,7,10,16,19]dioxapentaazacyclodocosin-1,4,7, 11,14,17,20(10H,19H)-hepton [German] [ACD/IUPAC Name]
(3S,6S,9S,13S,16S,19S,24aS)-19-[(2S)-2-Butanyl]-3-isobutyl-13,16-diisopropyl-6,10,10,15-tetramethyl-9-(4-pentyn-1-yl)dodecahydro-1H,9H-pyrrolo[2,1-i][1,13,4,7,10,16,19]dioxapentaazacyclodocosine-1,4,7 ,11,14,17,20(10H,19H)-heptone [ACD/IUPAC Name]
(3S,6S,9S,13S,16S,19S,24aS)-19-[(2S)-2-Butanyl]-3-isobutyl-13,16-diisopropyl-6,10,10,15-tétraméthyl-9-(4-pentyn-1-yl)dodécahydro-1H,9H-pyrrolo[2,1-i][1,13,4,7,10,16,19]dioxapentaazacyclodocosine-1,4,7 ,11,14,17,20(10H,19H)-heptone [French] [ACD/IUPAC Name]
1H,9H-Pyrrolo[2,1-i][1,13,4,7,10,16,19]dioxapentaazacyclodocosine-1,4,7,11,14,17,20(10H,19H)-heptone, dodecahydro-6,10,10,15-tetramethyl-13,16-bis(1-methylethyl)-19-[(1S)-1-methylpropyl]-3-(2-methylpr opyl)-9-(4-pentyn-1-yl)-, (3S,6S,9S,13S,16S,19S,24aS)- [ACD/Index Name]
kohamamide A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 994.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.3±3.0 kJ/mol
Flash Point: 555.4±34.3 °C
Index of Refraction: 1.531
Molar Refractivity: 208.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 38.03
ACD/KOC (pH 5.5): 470.61
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 38.03
ACD/KOC (pH 7.4): 470.61
Polar Surface Area: 181 Å2
Polarizability: 82.6±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 674.0±5.0 cm3

Click to predict properties on the Chemicalize site


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