ChemSpider 2D Image | (2S,5S,6S,10R,11S)-5-Benzyl-10-heptyl-6-hydroxy-2-isopropyl-4,11-dimethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione | C28H43NO6

(2S,5S,6S,10R,11S)-5-Benzyl-10-heptyl-6-hydroxy-2-isopropyl-4,11-dimethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione

  • Molecular FormulaC28H43NO6
  • Average mass489.644 Da
  • Monoisotopic mass489.309052 Da
  • ChemSpider ID23135052

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,5S,6S,10R,11S)-5-Benzyl-10-heptyl-6-hydroxy-2-isopropyl-4,11-dimethyl-1,9-dioxa-4-azacyclododecan-3,8,12-trion [German] [ACD/IUPAC Name]
(2S,5S,6S,10R,11S)-5-Benzyl-10-heptyl-6-hydroxy-2-isopropyl-4,11-dimethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione [ACD/IUPAC Name]
(2S,5S,6S,10R,11S)-5-Benzyl-10-heptyl-6-hydroxy-2-isopropyl-4,11-diméthyl-1,9-dioxa-4-azacyclododécane-3,8,12-trione [French] [ACD/IUPAC Name]
(2S,5S,6S,10R,11S)-5-benzyl-10-heptyl-6-hydroxy-4,11-dimethyl-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-4,11-dimethyl-2-(1-methylethyl)-5-(phenylmethyl)-, (2S,5S,6S,10R,11S)- [ACD/Index Name]
(2S,5S,6S,10R,11S)-5-Benzyl-10-heptyl-6-hydroxy-2-isopropyl-4,11-dimethyl-1,9-dioxa-4-aza-cyclododecane-3,8,12-trione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL290432/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 689.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 370.6±31.5 °C
Index of Refraction: 1.496
Molar Refractivity: 135.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7422.06
ACD/KOC (pH 5.5): 20516.93
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7422.05
ACD/KOC (pH 7.4): 20516.91
Polar Surface Area: 93 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 463.0±3.0 cm3

Click to predict properties on the Chemicalize site


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