ChemSpider 2D Image | (3S,6S)-5-[(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)carbonyl]-22-methoxy-13-[(2S)-tetrahydro-2-furanylcarbonyl]-2-oxa-5,8,13,17-tetraazatricyclo[17.3.1.1~3,6~]tetracosa-1(23),19,21-triene-7,18-dione | C38H47N5O7

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

  • Molecular FormulaC38H47N5O7
  • Average mass685.809 Da
  • Monoisotopic mass685.347534 Da
  • ChemSpider ID71344352

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,6S)-5-[(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)carbonyl]-22-methoxy-13-[(2S)-tetrahydro-2-furanylcarbonyl]-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)-5-[(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)carbonyl]-22-methoxy-13-[(2S)-tetrahydro-2-furanylcarbonyl]-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)-5-[(2,5-Diméthyl-1-phényl-1H-pyrrol-3-yl)carbonyl]-22-méthoxy-13-[(2S)-tétrahydro-2-furanylcarbonyl]-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, 5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)carbonyl]-22-methoxy-13-[[(2S)-tetrahydro-2-furanyl]carbonyl]-, (3S,6S) - [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: 985.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.9±3.0 kJ/mol
Flash Point: 549.8±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 187.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.92
ACD/KOC (pH 5.5): 415.15
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.92
ACD/KOC (pH 7.4): 415.15
Polar Surface Area: 131 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 519.4±7.0 cm3

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