ChemSpider 2D Image | 6-[(1-Azepanylacetyl)amino]-N-{[6-(dodecyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl}-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide | C36H63N3O9

6-[(1-Azepanylacetyl)amino]-N-{[6-(dodecyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl}-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide

  • Molecular FormulaC36H63N3O9
  • Average mass681.900 Da
  • Monoisotopic mass681.456421 Da
  • ChemSpider ID32766368

More details:

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

6-[(1-Azepanylacetyl)amino]-N-{[6-(dodecyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl}-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-carboxamid [German] [ACD/IUPAC Name]
6-[(1-Azepanylacetyl)amino]-N-{[6-(dodecyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl}-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide [ACD/IUPAC Name]
6-{[2-(1-Azépanyl)acétyl]amino}-N-{[6-(dodécyloxy)-2,2-diméthyltétrahydrofuro[2,3-d][1,3]dioxol-5-yl]méthyl}-2,2-diméthyltétrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide [French] [ACD/IUPAC 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: 786.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 429.7±32.9 °C
Index of Refraction: 1.536
Molar Refractivity: 182.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 8.97
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 13155.21
ACD/KOC (pH 5.5): 10106.16
ACD/LogD (pH 7.4): 7.75
ACD/BCF (pH 7.4): 405607.66
ACD/KOC (pH 7.4): 311598.00
Polar Surface Area: 126 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 583.7±5.0 cm3

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