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Search term: 35014916 (Found by CSID)
ChemSpider 2D Image | 3-sec-Butyl-16-(2-hydroxy-2-methylpropyl)-6-isopropyl-5,8,9-trimethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone | C30H51N5O8

3-sec-Butyl-16-(2-hydroxy-2-methylpropyl)-6-isopropyl-5,8,9-trimethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone

  • Molecular FormulaC30H51N5O8
  • Average mass609.755 Da
  • Monoisotopic mass609.373779 Da
  • ChemSpider ID35014916

More details:

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

3-sec-Butyl-16-(2-hydroxy-2-methylpropyl)-6-isopropyl-5,8,9-trimethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecin-1,4,7,10,14,17(11H,16H)-hexon [German] [ACD/IUPAC Name]
3-sec-Butyl-16-(2-hydroxy-2-methylpropyl)-6-isopropyl-5,8,9-trimethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone [ACD/IUPAC Name]
3-sec-Butyl-16-(2-hydroxy-2-méthylpropyl)-6-isopropyl-5,8,9-triméthyldodécahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadécine-1,4,7,10,14,17(11H,16H)-hexone [French] [ACD/IUPAC Name]
Pyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone, dodecahydro-16-(2-hydroxy-2-methylpropyl)-5,8,9-trimethyl-6-(1-methylethyl)-3-(1-methylpropyl)- [ACD/Index Name]
16-(2-hydroxy-2-methylpropyl)-6-isopropyl-5,8,9-trimethyl-3-(sec-butyl)-dodecahydropyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclononadecane-1,4,7,10,14,17-hexone
Hydroxydestruxin B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 909.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.1±6.0 kJ/mol
Flash Point: 503.6±34.3 °C
Index of Refraction: 1.546
Molar Refractivity: 159.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.45
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.86
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.86
Polar Surface Area: 166 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 504.0±5.0 cm3

Click to predict properties on the Chemicalize site


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