ChemSpider 2D Image | (1R,6S,8S,22S)-6-(Cyclopentylamino)-22-[2-(4-morpholinyl)-2-oxoethyl]-13,16-dioxa-4,10,19-triazatricyclo[17.3.1.0~4,8~]tricosane-3,9,18-trione | C29H47N5O7

(1R,6S,8S,22S)-6-(Cyclopentylamino)-22-[2-(4-morpholinyl)-2-oxoethyl]-13,16-dioxa-4,10,19-triazatricyclo[17.3.1.04,8]tricosane-3,9,18-trione

  • Molecular FormulaC29H47N5O7
  • Average mass577.713 Da
  • Monoisotopic mass577.347534 Da
  • ChemSpider ID84487722

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,6S,8S,22S)-6-(Cyclopentylamino)-22-[2-(4-morpholinyl)-2-oxoethyl]-13,16-dioxa-4,10,19-triazatricyclo[17.3.1.04,8]tricosan-3,9,18-trion [German] [ACD/IUPAC Name]
(1R,6S,8S,22S)-6-(Cyclopentylamino)-22-[2-(4-morpholinyl)-2-oxoethyl]-13,16-dioxa-4,10,19-triazatricyclo[17.3.1.04,8]tricosane-3,9,18-trione [ACD/IUPAC Name]
(1R,6S,8S,22S)-6-(Cyclopentylamino)-22-[2-(4-morpholinyl)-2-oxoéthyl]-13,16-dioxa-4,10,19-triazatricyclo[17.3.1.04,8]tricosane-3,9,18-trione [French] [ACD/IUPAC Name]
11,15-Methano-11H-pyrrolo[2,1-i][1,4,7,10,17]dioxatriazacyclononadecine-1,10,17(2H,9H,12H)-trione, 20-(cyclopentylamino)dodecahydro-14-[2-(4-morpholinyl)-2-oxoethyl]-, (14S,15R,20S,21aS)- [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: 864.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.7±3.0 kJ/mol
Flash Point: 476.8±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 150.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.93
ACD/LogD (pH 5.5): -4.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 451.1±5.0 cm3

Click to predict properties on the Chemicalize site


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