ChemSpider 2D Image | (2S,5S,6R,10R)-5-Benzyl-10-heptyl-6-hydroxy-2-isopropyl-4-methyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione | C27H41NO6

(2S,5S,6R,10R)-5-Benzyl-10-heptyl-6-hydroxy-2-isopropyl-4-methyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione

  • Molecular FormulaC27H41NO6
  • Average mass475.617 Da
  • Monoisotopic mass475.293396 Da
  • ChemSpider ID23134638

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,5S,6R,10R)-5-Benzyl-10-heptyl-6-hydroxy-2-isopropyl-4-methyl-1,9-dioxa-4-azacyclododecan-3,8,12-trion [German] [ACD/IUPAC Name]
(2S,5S,6R,10R)-5-Benzyl-10-heptyl-6-hydroxy-2-isopropyl-4-methyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione [ACD/IUPAC Name]
(2S,5S,6R,10R)-5-Benzyl-10-heptyl-6-hydroxy-2-isopropyl-4-méthyl-1,9-dioxa-4-azacyclododécane-3,8,12-trione [French] [ACD/IUPAC Name]
(2S,5S,6R,10R)-5-benzyl-10-heptyl-6-hydroxy-4-methyl-2-(propan-2-yl)-1,9-dioxa-4-azacyclododecane-3,8,12-trione
1,9-Dioxa-4-azacyclododecane-3,8,12-trione, 10-heptyl-6-hydroxy-4-methyl-2-(1-methylethyl)-5-(phenylmethyl)-, (2S,5S,6R,10R)- [ACD/Index Name]
(2S,5S,6R,10R)-5-Benzyl-10-heptyl-6-hydroxy-2-isopropyl-4-methyl-1,9-dioxa-4-aza-cyclododecane-3,8,12-trione

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

Density: 1.1±0.1 g/cm3
Boiling Point: 687.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 369.3±31.5 °C
Index of Refraction: 1.501
Molar Refractivity: 130.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4229.07
ACD/KOC (pH 5.5): 13717.03
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4229.07
ACD/KOC (pH 7.4): 13717.01
Polar Surface Area: 93 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 443.0±3.0 cm3

Click to predict properties on the Chemicalize site


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