ChemSpider 2D Image | Methyl [(9Z,25S,26S,28Z)-12-ethyl-28-ethylidene-4-hexyl-20-hydroxy-13,19,25,30-tetramethyl-3,5-dioxo-4,8,17,27,29-pentaazaheptacyclo[22.2.1.1~6,9~.1~11,14~.1~16,19~.0~2,7~.0~18,23~]triaconta-1(27),2(7 ),6(30),9,11,13,15,17,21,23-decaen-26-yl]acetate | C42H49N5O5

Methyl [(9Z,25S,26S,28Z)-12-ethyl-28-ethylidene-4-hexyl-20-hydroxy-13,19,25,30-tetramethyl-3,5-dioxo-4,8,17,27,29-pentaazaheptacyclo[22.2.1.16,9.111,14.116,19.02,7.018,23]triaconta-1(27),2(7 ),6(30),9,11,13,15,17,21,23-decaen-26-yl]acetate

  • Molecular FormulaC42H49N5O5
  • Average mass703.869 Da
  • Monoisotopic mass703.373352 Da
  • ChemSpider ID9300681

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

[(9Z,25S,26S,28Z)-12-Éthyl-28-éthylidène-4-hexyl-20-hydroxy-13,19,25,30-tétraméthyl-3,5-dioxo-4,8,17,27,29-pentaazaheptacyclo[22.2.1.16,9.111,14.116,19.02,7.018,23]triaconta-1(27),2(7),6(30) ,9,11,13,15,17,21,23-décaén-26-yl]acétate de méthyle [French] [ACD/IUPAC Name]
Methyl [(9Z,25S,26S,28Z)-12-ethyl-28-ethylidene-4-hexyl-20-hydroxy-13,19,25,30-tetramethyl-3,5-dioxo-4,8,17,27,29-pentaazaheptacyclo[22.2.1.16,9.111,14.116,19.02,7.018,23]triaconta-1(27),2(7 ),6(30),9,11,13,15,17,21,23-decaen-26-yl]acetate [ACD/IUPAC Name]
Methyl-[(9Z,25S,26S,28Z)-12-ethyl-28-ethyliden-4-hexyl-20-hydroxy-13,19,25,30-tetramethyl-3,5-dioxo-4,8,17,27,29-pentaazaheptacyclo[22.2.1.16,9.111,14.116,19.02,7.018,23]triaconta-1(27),2(7) ,6(30),9,11,13,15,17,21,23-decaen-26-yl]acetat [German] [ACD/IUPAC 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: 921.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.3±3.0 kJ/mol
Flash Point: 510.8±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 199.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 7.57
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: 141 Å2
Polarizability: 78.9±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 556.2±3.0 cm3

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