Found 12 results

Search term: MF = 'C_{30}H_{51}N_{5}O_{9}'
ChemSpider 2D Image | 3-sec-Butyl-16-(2,3-dihydroxypropyl)-6-isopropyl-5,8,9,21-tetramethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone | C30H51N5O9

3-sec-Butyl-16-(2,3-dihydroxypropyl)-6-isopropyl-5,8,9,21-tetramethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone

  • Molecular FormulaC30H51N5O9
  • Average mass625.754 Da
  • Monoisotopic mass625.368652 Da
  • ChemSpider ID22943267

More details:

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

3-sec-Butyl-16-(2,3-dihydroxypropyl)-6-isopropyl-5,8,9,21-tetramethyldodecahydropyrrolo[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-(2,3-dihydroxypropyl)-6-isopropyl-5,8,9,21-tetramethyldodecahydropyrrolo[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-(2,3-dihydroxypropyl)-6-isopropyl-5,8,9,21-tétraméthyldodécahydropyrrolo[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, 16-(2,3-dihydroxypropyl)dodecahydro-5,8,9,21-tetramethyl-6-(1-methylethyl)-3-(1-methylpropyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 957.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 158.0±6.0 kJ/mol
Flash Point: 532.6±34.3 °C
Index of Refraction: 1.555
Molar Refractivity: 161.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.47
ACD/LogD (pH 5.5): -2.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.79
ACD/LogD (pH 7.4): -2.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.79
Polar Surface Area: 186 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 502.0±5.0 cm3

Click to predict properties on the Chemicalize site


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