Found 1 result

Search term: 78445136 (Found by CSID)
ChemSpider 2D Image | (6S,9S)-3-[(2S)-2-Butanyl]-9-isopropyl-6-methyl-13-(2-octanyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone | C25H45N3O5

(6S,9S)-3-[(2S)-2-Butanyl]-9-isopropyl-6-methyl-13-(2-octanyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone

  • Molecular FormulaC25H45N3O5
  • Average mass467.642 Da
  • Monoisotopic mass467.335907 Da
  • ChemSpider ID78445136

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

(6S,9S)-3-[(2S)-2-Butanyl]-9-isopropyl-6-methyl-13-(2-octanyl)-1-oxa-4,7,10-triazacyclotridecan-2,5,8,11-tetron [German] [ACD/IUPAC Name]
(6S,9S)-3-[(2S)-2-Butanyl]-9-isopropyl-6-methyl-13-(2-octanyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone [ACD/IUPAC Name]
(6S,9S)-3-[(2S)-2-Butanyl]-9-isopropyl-6-méthyl-13-(2-octanyl)-1-oxa-4,7,10-triazacyclotridécane-2,5,8,11-tétrone [French] [ACD/IUPAC Name]
1-Oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone, 6-methyl-9-(1-methylethyl)-13-(1-methylheptyl)-3-[(1S)-1-methylpropyl]-, (6S,9S)- [ACD/Index Name]
Beauveriolide VIII

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

Density: 1.0±0.1 g/cm3
Boiling Point: 729.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 395.1±32.9 °C
Index of Refraction: 1.455
Molar Refractivity: 127.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 82.70
ACD/KOC (pH 5.5): 820.68
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 82.70
ACD/KOC (pH 7.4): 820.68
Polar Surface Area: 114 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 31.2±3.0 dyne/cm
Molar Volume: 471.1±3.0 cm3

Click to predict properties on the Chemicalize site


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