ChemSpider 2D Image | (3R,6S,9S,13S)-3-Isobutyl-9-isopropyl-6-methyl-13-[(2S)-2-octanyl]-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone | C25H45N3O5

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

  • Molecular FormulaC25H45N3O5
  • Average mass467.642 Da
  • Monoisotopic mass467.335907 Da
  • ChemSpider ID78442581

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R,6S,9S,13S)-3-Isobutyl-9-isopropyl-6-methyl-13-[(2S)-2-octanyl]-1-oxa-4,7,10-triazacyclotridecan-2,5,8,11-tetron [German] [ACD/IUPAC Name]
(3R,6S,9S,13S)-3-Isobutyl-9-isopropyl-6-methyl-13-[(2S)-2-octanyl]-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone [ACD/IUPAC Name]
(3R,6S,9S,13S)-3-Isobutyl-9-isopropyl-6-méthyl-13-[(2S)-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-[(1S)-1-methylheptyl]-3-(2-methylpropyl)-, (3R,6S,9S,13S)- [ACD/Index Name]
Beauverolide P

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

Density: 1.0±0.1 g/cm3
Boiling Point: 730.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.3±32.9 °C
Index of Refraction: 1.452
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: 30.6±3.0 dyne/cm
Molar Volume: 473.5±3.0 cm3

Click to predict properties on the Chemicalize site


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