ChemSpider 2D Image | N-(4-{[(1R,5S,21S,24S)-24-Hydroxy-4,11-dioxo-15-phenyl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.0~5,10~.0~12,17~]pentacosa-12,14,16-trien-7-yl]methyl}phenyl)acetamide | C35H40N4O6

N-(4-{[(1R,5S,21S,24S)-24-Hydroxy-4,11-dioxo-15-phenyl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-7-yl]methyl}phenyl)acetamide

  • Molecular FormulaC35H40N4O6
  • Average mass612.715 Da
  • Monoisotopic mass612.294800 Da
  • ChemSpider ID65060878

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Acetamide, N-[4-[[(14S,17S,18R,21aS)-1,3,4,12,13,14,15,16,17,18,19,20,21,21a-tetradecahydro-17-hydroxy-6,21-dioxo-9-phenyl-14,18-epoxy-2H,6H-pyrazino[2,1-l][1,10,13]benzoxadiazacyclohexadecin-2-yl]met hyl]phenyl]- [ACD/Index Name]
N-(4-{[(1R,5S,21S,24S)-24-Hydroxy-4,11-dioxo-15-phenyl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-7-yl]methyl}phenyl)acetamid [German] [ACD/IUPAC Name]
N-(4-{[(1R,5S,21S,24S)-24-Hydroxy-4,11-dioxo-15-phenyl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-7-yl]methyl}phenyl)acetamide [ACD/IUPAC Name]
N-(4-{[(1R,5S,21S,24S)-24-Hydroxy-4,11-dioxo-15-phényl-18,25-dioxa-3,7,10-triazatétracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trién-7-yl]méthyl}phényl)acétamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 918.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.9±3.0 kJ/mol
Flash Point: 509.1±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 169.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 2.47
ACD/KOC (pH 5.5): 33.64
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 24.22
ACD/KOC (pH 7.4): 329.34
Polar Surface Area: 120 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 456.7±5.0 cm3

Click to predict properties on the Chemicalize site


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