ChemSpider 2D Image | 2-Methyl-2-propanyl (1R,5S,8S,20S,23S)-23-methoxy-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 | C26H37N3O7

2-Methyl-2-propanyl (1R,5S,8S,20S,23S)-23-methoxy-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 FormulaC26H37N3O7
  • Average mass503.588 Da
  • Monoisotopic mass503.263153 Da
  • ChemSpider ID65060919

  • 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-Méthoxy-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-methoxy-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-methoxy-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-methoxy-11,17-dioxo-, 1,1-dimethylethyl 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: 1.3±0.1 g/cm3
Boiling Point: 740.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 401.9±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 131.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.61
ACD/KOC (pH 5.5): 237.35
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.61
ACD/KOC (pH 7.4): 237.35
Polar Surface Area: 115 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 399.0±5.0 cm3

Click to predict properties on the Chemicalize site


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