ChemSpider 2D Image | 2-Methyl-2-propanyl (1R,5S,8S,20S,23S)-23-hydroxy-14-(1-methyl-1H-pyrazol-4-yl)-4,10-dioxo-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.1~5,8~.0~11,16~]pentacosa-11,13,15-triene-6-carboxylate | C29H39N5O7

2-Methyl-2-propanyl (1R,5S,8S,20S,23S)-23-hydroxy-14-(1-methyl-1H-pyrazol-4-yl)-4,10-dioxo-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triene-6-carboxylate

  • Molecular FormulaC29H39N5O7
  • Average mass569.649 Da
  • Monoisotopic mass569.284973 Da
  • ChemSpider ID65060904

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,5S,8S,20S,23S)-23-Hydroxy-14-(1-méthyl-1H-pyrazol-4-yl)-4,10-dioxo-17,24-dioxa-3,6,9-triazatétracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triène-6-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1R,5S,8S,20S,23S)-23-hydroxy-14-(1-methyl-1H-pyrazol-4-yl)-4,10-dioxo-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triene-6-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1R,5S,8S,20S,23S)-23-hydroxy-14-(1-methyl-1H-pyrazol-4-yl)-4,10-dioxo-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-trien-6-carboxylat [German] [ACD/IUPAC Name]
4,8-Epoxy-12,15-methano-1,10,13,16-benzoxatriazacyclononadecine-13(2H)-carboxylic acid, 3,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-7-hydroxy-20-(1-methyl-1H-pyrazol-4-yl)-11,17-dioxo-, 1,1-dime thylethyl ester, (4S,7S,8R,12S,15S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 875.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.3±3.0 kJ/mol
Flash Point: 483.1±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 147.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.50
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.22
ACD/KOC (pH 5.5): 80.46
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.22
ACD/KOC (pH 7.4): 80.47
Polar Surface Area: 144 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 402.2±7.0 cm3

Click to predict properties on the Chemicalize site


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