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Search term: 27025623 (Found by CSID)
ChemSpider 2D Image | wewakamide A | C53H86N8O10

wewakamide A

  • Molecular FormulaC53H86N8O10
  • Average mass995.297 Da
  • Monoisotopic mass994.646667 Da
  • ChemSpider ID27025623

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3S,6S,9S,12S,15R,16R,19S,22S,25S,30aS)-22-Benzyl-9-[(2S)-2-butanyl]-6,19-diisobutyl-12,25-diisopropyl-2,3,5,8,15,16-hexamethyloctadecahydro-1H-pyrrolo[1,2-d][1,4,7,10,13,16,19,23,26]oxaoctaazacyclooc tacosin-1,4,7,10,13,17,20,23,26(14H,25H)-nonon [German] [ACD/IUPAC Name]
(3S,6S,9S,12S,15R,16R,19S,22S,25S,30aS)-22-Benzyl-9-[(2S)-2-butanyl]-6,19-diisobutyl-12,25-diisopropyl-2,3,5,8,15,16-hexamethyloctadecahydro-1H-pyrrolo[1,2-d][1,4,7,10,13,16,19,23,26]oxaoctaazacyclooc tacosine-1,4,7,10,13,17,20,23,26(14H,25H)-nonone [ACD/IUPAC Name]
(3S,6S,9S,12S,15R,16R,19S,22S,25S,30aS)-22-Benzyl-9-[(2S)-2-butanyl]-6,19-diisobutyl-12,25-diisopropyl-2,3,5,8,15,16-hexaméthyloctadécahydro-1H-pyrrolo[1,2-d][1,4,7,10,13,16,19,23,26]oxaoctaazacyclooc tacosine-1,4,7,10,13,17,20,23,26(14H,25H)-nonone [French] [ACD/IUPAC Name]
1H-Pyrrolo[1,2-d][1,4,7,10,13,16,19,23,26]oxaoctaazacyclooctacosine-1,4,7,10,13,17,20,23,26(14H,25H)-nonone, octadecahydro-2,3,5,8,15,16-hexamethyl-12,25-bis(1-methylethyl)-9-[(1S)-1-methylpropyl]-6,1 9-bis(2-methylpropyl)-22-(phenylmethyl)-, (3S,6S,9S,12S,15R,16R,19S,22S,25S,30aS)- [ACD/Index Name]
wewakamide A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1175.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 174.5±3.0 kJ/mol
Flash Point: 664.6±34.3 °C
Index of Refraction: 1.554
Molar Refractivity: 272.9±0.4 cm3
#H bond acceptors: 18
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 64.11
ACD/KOC (pH 5.5): 683.46
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 64.11
ACD/KOC (pH 7.4): 683.46
Polar Surface Area: 224 Å2
Polarizability: 108.2±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 851.5±5.0 cm3

Click to predict properties on the Chemicalize site


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