ChemSpider 2D Image | (3S,6S)-13-[(2,4-Dimethyl-1,3-oxazol-5-yl)carbonyl]-22-methoxy-2-oxa-5,8,13,17-tetraazatricyclo[17.3.1.1~3,6~]tetracosa-1(23),19,21-triene-7,18-dione | C26H35N5O6

(3S,6S)-13-[(2,4-Dimethyl-1,3-oxazol-5-yl)carbonyl]-22-methoxy-2-oxa-5,8,13,17-tetraazatricyclo[17.3.1.13,6]tetracosa-1(23),19,21-triene-7,18-dione

  • Molecular FormulaC26H35N5O6
  • Average mass513.586 Da
  • Monoisotopic mass513.258728 Da
  • ChemSpider ID62723798
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3S,6S)-13-[(2,4-Dimethyl-1,3-oxazol-5-yl)carbonyl]-22-methoxy-2-oxa-5,8,13,17-tetraazatricyclo[17.3.1.13,6]tetracosa-1(23),19,21-trien-7,18-dion [German] [ACD/IUPAC Name]
(3S,6S)-13-[(2,4-Dimethyl-1,3-oxazol-5-yl)carbonyl]-22-methoxy-2-oxa-5,8,13,17-tetraazatricyclo[17.3.1.13,6]tetracosa-1(23),19,21-triene-7,18-dione [ACD/IUPAC Name]
(3S,6S)-13-[(2,4-Diméthyl-1,3-oxazol-5-yl)carbonyl]-22-méthoxy-2-oxa-5,8,13,17-tétraazatricyclo[17.3.1.13,6]tétracosa-1(23),19,21-triène-7,18-dione [French] [ACD/IUPAC Name]
2-Oxa-5,8,13,17-tetraazatricyclo[17.3.1.13,6]tetracosa-1(23),19,21-triene-7,18-dione, 13-[(2,4-dimethyl-5-oxazolyl)carbonyl]-22-methoxy-, (3S,6S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 831.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.9±3.0 kJ/mol
Flash Point: 456.9±34.3 °C
Index of Refraction: 1.525
Molar Refractivity: 134.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -2.73
ACD/LogD (pH 5.5): -2.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.76
Polar Surface Area: 135 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 438.4±3.0 cm3

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