ChemSpider 2D Image | N-[(1R,5S,21S,24R)-4,11-Dioxo-7-(tetrahydro-2H-pyran-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.0~5,10~.0~12,17~]pentacosa-12,14,16-trien-24-yl]acetamide | C27H38N4O6

N-[(1R,5S,21S,24R)-4,11-Dioxo-7-(tetrahydro-2H-pyran-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide

  • Molecular FormulaC27H38N4O6
  • Average mass514.614 Da
  • Monoisotopic mass514.279114 Da
  • ChemSpider ID65259779

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Acetamide, N-[(14S,17R,18R,21aS)-1,3,4,12,13,14,15,16,17,18,19,20,21,21a-tetradecahydro-6,21-dioxo-2-(tetrahydro-2H-pyran-4-yl)-14,18-epoxy-2H,6H-pyrazino[2,1-l][1,10,13]benzoxadiazacyclohexadecin-17- yl]- [ACD/Index Name]
N-[(1R,5S,21S,24R)-4,11-Dioxo-7-(tetrahydro-2H-pyran-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamid [German] [ACD/IUPAC Name]
N-[(1R,5S,21S,24R)-4,11-Dioxo-7-(tetrahydro-2H-pyran-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide [ACD/IUPAC Name]
N-[(1R,5S,21S,24R)-4,11-Dioxo-7-(tétrahydro-2H-pyran-4-yl)-18,25-dioxa-3,7,10-triazatétracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trién-24-yl]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: 809.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 443.5±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 136.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 0.82
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.26
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 2.35
ACD/KOC (pH 7.4): 59.60
Polar Surface Area: 109 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 396.1±5.0 cm3

Click to predict properties on the Chemicalize site


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