ChemSpider 2D Image | (5S,6S,10R,11S)-5-Benzyl-10-heptyl-6-hydroxy-2,2,4,11-tetramethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione | C27H41NO6

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

  • Molecular FormulaC27H41NO6
  • Average mass475.617 Da
  • Monoisotopic mass475.293396 Da
  • ChemSpider ID23134676

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5S,6S,10R,11S)-5-Benzyl-10-heptyl-6-hydroxy-2,2,4,11-tetramethyl-1,9-dioxa-4-azacyclododecan-3,8,12-trion [German] [ACD/IUPAC Name]
(5S,6S,10R,11S)-5-Benzyl-10-heptyl-6-hydroxy-2,2,4,11-tetramethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione [ACD/IUPAC Name]
(5S,6S,10R,11S)-5-Benzyl-10-heptyl-6-hydroxy-2,2,4,11-tétraméthyl-1,9-dioxa-4-azacyclododécane-3,8,12-trione [French] [ACD/IUPAC Name]
1,9-Dioxa-4-azacyclododecane-3,8,12-trione, 10-heptyl-6-hydroxy-2,2,4,11-tetramethyl-5-(phenylmethyl)-, (5S,6S,10R,11S)- [ACD/Index Name]
(5S,6S,10R,11S)-5-Benzyl-10-heptyl-6-hydroxy-2,2,4,11-tetramethyl-1,9-dioxa-4-aza-cyclododecane-3,8,12-trione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL290635/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 676.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 362.8±31.5 °C
Index of Refraction: 1.493
Molar Refractivity: 130.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6709.64
ACD/KOC (pH 5.5): 19087.22
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6709.63
ACD/KOC (pH 7.4): 19087.20
Polar Surface Area: 93 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 449.3±3.0 cm3

Click to predict properties on the Chemicalize site


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