ChemSpider 2D Image | Propyl 3-[(1E,10Z,12R,13R,15Z,19Z,22S,23S)-17-acetyl-12-ethyl-27-formyl-13,18,22-trimethyl-3,5-dioxo-4-propyl-4,8,24,25,26-pentaazahexacyclo[19.2.1.1~6,9~.1~11,14~.1~16,19~.0~2,7~]heptacosa-1,6,9(27), 10,14(26),15,17,19,21(24)-nonaen-23-yl]propanoate | C39H45N5O6

Propyl 3-[(1E,10Z,12R,13R,15Z,19Z,22S,23S)-17-acetyl-12-ethyl-27-formyl-13,18,22-trimethyl-3,5-dioxo-4-propyl-4,8,24,25,26-pentaazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27), 10,14(26),15,17,19,21(24)-nonaen-23-yl]propanoate

  • Molecular FormulaC39H45N5O6
  • Average mass679.805 Da
  • Monoisotopic mass679.336975 Da
  • ChemSpider ID9680536

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-[(1E,10Z,12R,13R,15Z,19Z,22S,23S)-17-Acétyl-12-éthyl-27-formyl-13,18,22-triméthyl-3,5-dioxo-4-propyl-4,8,24,25,26-pentaazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,14(2 6),15,17,19,21(24)-nonaén-23-yl]propanoate de propyle [French] [ACD/IUPAC Name]
Propyl 3-[(1E,10Z,12R,13R,15Z,19Z,22S,23S)-17-acetyl-12-ethyl-27-formyl-13,18,22-trimethyl-3,5-dioxo-4-propyl-4,8,24,25,26-pentaazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27), 10,14(26),15,17,19,21(24)-nonaen-23-yl]propanoate [ACD/IUPAC Name]
Propyl-3-[(1E,10Z,12R,13R,15Z,19Z,22S,23S)-17-acetyl-12-ethyl-27-formyl-13,18,22-trimethyl-3,5-dioxo-4-propyl-4,8,24,25,26-pentaazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27), 10,14(26),15,17,19,21(24)-nonaen-23-yl]propanoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 944.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.5±3.0 kJ/mol
Flash Point: 524.9±34.3 °C
Index of Refraction: 1.589
Molar Refractivity: 186.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.47
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: 155 Å2
Polarizability: 74.0±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 554.0±3.0 cm3

Click to predict properties on the Chemicalize site


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