ChemSpider 2D Image | 3,3-Dimethyl-N-[(1R,5S,21S,24R)-7-methyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.0~5,10~.0~12,17~]pentacosa-12,14,16-trien-24-yl]butanamide | C27H40N4O5

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

  • Molecular FormulaC27H40N4O5
  • Average mass500.630 Da
  • Monoisotopic mass500.299866 Da
  • ChemSpider ID65259632

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3,3-Dimethyl-N-[(1R,5S,21S,24R)-7-methyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]butanamid [German] [ACD/IUPAC Name]
3,3-Dimethyl-N-[(1R,5S,21S,24R)-7-methyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]butanamide [ACD/IUPAC Name]
3,3-Diméthyl-N-[(1R,5S,21S,24R)-7-méthyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatétracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trién-24-yl]butanamide [French] [ACD/IUPAC Name]
Butanamide, 3,3-dimethyl-N-[(14S,17R,18R,21aS)-1,3,4,12,13,14,15,16,17,18,19,20,21,21a-tetradecahydro-2-methyl-6,21-dioxo-14,18-epoxy-2H,6H-pyrazino[2,1-l][1,10,13]benzoxadiazacyclohexadecin-17-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 758.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 412.5±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.73
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.23
ACD/KOC (pH 7.4): 25.59
Polar Surface Area: 100 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 408.8±5.0 cm3

Click to predict properties on the Chemicalize site


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