ChemSpider 2D Image | (7S,12S)-7-Benzyl-N-[3-(3,4-dimethoxyphenyl)propyl]-8-methyl-9,14,24-trioxo-7,8,9,10,11,12,13,14,21,22,23,24-dodecahydro-6H,20H-dibenzo[k,s][1,13,4,9,17]dioxatriazacycloicosine-12-carboxamide | C43H50N4O8

(7S,12S)-7-Benzyl-N-[3-(3,4-dimethoxyphenyl)propyl]-8-methyl-9,14,24-trioxo-7,8,9,10,11,12,13,14,21,22,23,24-dodecahydro-6H,20H-dibenzo[k,s][1,13,4,9,17]dioxatriazacycloicosine-12-carboxamide

  • Molecular FormulaC43H50N4O8
  • Average mass750.879 Da
  • Monoisotopic mass750.362854 Da
  • ChemSpider ID80822499

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(7S,12S)-7-Benzyl-N-[3-(3,4-dimethoxyphenyl)propyl]-8-methyl-9,14,24-trioxo-7,8,9,10,11,12,13,14,21,22,23,24-dodecahydro-6H,20H-dibenzo[k,s][1,13,4,9,17]dioxatriazacycloicosin-12-carboxamid [German] [ACD/IUPAC Name]
(7S,12S)-7-Benzyl-N-[3-(3,4-dimethoxyphenyl)propyl]-8-methyl-9,14,24-trioxo-7,8,9,10,11,12,13,14,21,22,23,24-dodecahydro-6H,20H-dibenzo[k,s][1,13,4,9,17]dioxatriazacycloicosine-12-carboxamide [ACD/IUPAC Name]
(7S,12S)-7-Benzyl-N-[3-(3,4-diméthoxyphényl)propyl]-8-méthyl-9,14,24-trioxo-7,8,9,10,11,12,13,14,21,22,23,24-dodécahydro-6H,20H-dibenzo[k,s][1,13,4,9,17]dioxatriazacycloicosine-12-carboxamide [French] [ACD/IUPAC Name]
6H,20H-Dibenzo[k,s][1,13,4,9,17]dioxatriazacycloeicosine-12-carboxamide, N-[3-(3,4-dimethoxyphenyl)propyl]-7,8,9,10,11,12,13,14,21,22,23,24-dodecahydro-8-methyl-9,14,24-trioxo-7-(phenylmethyl)-, (7S,1 2S)- [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: 1029.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.8±3.0 kJ/mol
Flash Point: 576.5±34.3 °C
Index of Refraction: 1.552
Molar Refractivity: 207.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1124.52
ACD/KOC (pH 5.5): 5314.72
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1124.52
ACD/KOC (pH 7.4): 5314.71
Polar Surface Area: 145 Å2
Polarizability: 82.3±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 649.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement