ChemSpider 2D Image | (10R,13E,16S)-10-(4-Methoxybenzyl)-3,3-dimethyl-16-{(1S)-1-[(2R,3R)-3-phenyl-2-oxiranyl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone | C32H38N2O8

(10R,13E,16S)-10-(4-Methoxybenzyl)-3,3-dimethyl-16-{(1S)-1-[(2R,3R)-3-phenyl-2-oxiranyl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

  • Molecular FormulaC32H38N2O8
  • Average mass578.653 Da
  • Monoisotopic mass578.262817 Da
  • ChemSpider ID8758067
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(10R,13E,16S)-10-(4-Methoxybenzyl)-3,3-dimethyl-16-{(1S)-1-[(2R,3R)-3-phenyl-2-oxiranyl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-en-2,5,9,12-tetron [German] [ACD/IUPAC Name]
(10R,13E,16S)-10-(4-Methoxybenzyl)-3,3-dimethyl-16-{(1S)-1-[(2R,3R)-3-phenyl-2-oxiranyl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone [ACD/IUPAC Name]
(10R,13E,16S)-10-(4-Méthoxybenzyl)-3,3-diméthyl-16-{(1S)-1-[(2R,3R)-3-phényl-2-oxiranyl]éthyl}-1,4-dioxa-8,11-diazacyclohexadéc-13-ène-2,5,9,12-tétrone [French] [ACD/IUPAC Name]
1,4-Dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone, 10-[(4-methoxyphenyl)methyl]-3,3-dimethyl-16-[(1S)-1-[(2R,3R)-3-phenyloxiranyl]ethyl]-, (10R,13E,16S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 863.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.5±3.0 kJ/mol
Flash Point: 475.9±34.3 °C
Index of Refraction: 1.531
Molar Refractivity: 153.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.32
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.72
ACD/KOC (pH 5.5): 502.90
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.72
ACD/KOC (pH 7.4): 502.89
Polar Surface Area: 133 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 494.6±3.0 cm3

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