ChemSpider 2D Image | N-[(1R,5S,21S,24R)-7-(2-Hydroxybenzyl)-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]-3,3-dimethylbutanamide | C33H44N4O6

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

  • Molecular FormulaC33H44N4O6
  • Average mass592.726 Da
  • Monoisotopic mass592.326111 Da
  • ChemSpider ID65259640

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

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-[(2-hydroxyphenyl)methyl]-6,21-dioxo-14,18-epoxy-2H,6H-pyrazino[2,1-l][1,10,13]benzoxadiazacyclo hexadecin-17-yl]- [ACD/Index Name]
N-[(1R,5S,21S,24R)-7-(2-Hydroxybenzyl)-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]-3,3-dimethylbutanamid [German] [ACD/IUPAC Name]
N-[(1R,5S,21S,24R)-7-(2-Hydroxybenzyl)-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]-3,3-dimethylbutanamide [ACD/IUPAC Name]
N-[(1R,5S,21S,24R)-7-(2-Hydroxybenzyl)-4,11-dioxo-18,25-dioxa-3,7,10-triazatétracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trién-24-yl]-3,3-diméthylbutanamide [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: 846.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.3±3.0 kJ/mol
Flash Point: 465.9±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 162.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 6.17
ACD/KOC (pH 5.5): 80.65
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 29.75
ACD/KOC (pH 7.4): 388.67
Polar Surface Area: 120 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 463.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement