ChemSpider 2D Image | (3Z,9Z,13Z,20S,24S,26S)-12-Ethyl-20-hydroxy-6,11,26,27-tetramethyl-7-vinyl-2,16,28,29-tetraazaheptacyclo[15.7.1.1~3,24~.1~5,8~.1~10,13~.1~15,18~.0~20,25~]nonacosa-1,3,5,7,9,11,13,15,17(25),18(27)-deca ene-19,21-dione | C33H32N4O3

(3Z,9Z,13Z,20S,24S,26S)-12-Ethyl-20-hydroxy-6,11,26,27-tetramethyl-7-vinyl-2,16,28,29-tetraazaheptacyclo[15.7.1.13,24.15,8.110,13.115,18.020,25]nonacosa-1,3,5,7,9,11,13,15,17(25),18(27)-deca ene-19,21-dione

  • Molecular FormulaC33H32N4O3
  • Average mass532.632 Da
  • Monoisotopic mass532.247437 Da
  • ChemSpider ID9235653

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3Z,9Z,13Z,20S,24S,26S)-12-Ethyl-20-hydroxy-6,11,26,27-tetramethyl-7-vinyl-2,16,28,29-tetraazaheptacyclo[15.7.1.13,24.15,8.110,13.115,18.020,25]nonacosa-1,3,5,7,9,11,13,15,17(25),18(27)-deca en-19,21-dion [German] [ACD/IUPAC Name]
(3Z,9Z,13Z,20S,24S,26S)-12-Ethyl-20-hydroxy-6,11,26,27-tetramethyl-7-vinyl-2,16,28,29-tetraazaheptacyclo[15.7.1.13,24.15,8.110,13.115,18.020,25]nonacosa-1,3,5,7,9,11,13,15,17(25),18(27)-deca ene-19,21-dione [ACD/IUPAC Name]
(3Z,9Z,13Z,20S,24S,26S)-12-Éthyl-20-hydroxy-6,11,26,27-tétraméthyl-7-vinyl-2,16,28,29-tétraazaheptacyclo[15.7.1.13,24.15,8.110,13.115,18.020,25]nonacosa-1,3,5,7,9,11,13,15,17(25),18(27)-déca ène-19,21-dione [French] [ACD/IUPAC 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: 1006.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.9±3.0 kJ/mol
Flash Point: 562.4±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.29
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 112 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 76.5±5.0 dyne/cm
Molar Volume: 385.0±5.0 cm3

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