ChemSpider 2D Image | (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-Hydroxy-8,14-dimethoxy-19-[(6-{[(2E)-3-(2-methoxyphenyl)-2-propenoyl]amino}hexyl)amino]-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6, 10,18-pentaen-9-yl carbamate | C44H60N4O10

(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-Hydroxy-8,14-dimethoxy-19-[(6-{[(2E)-3-(2-methoxyphenyl)-2-propenoyl]amino}hexyl)amino]-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6, 10,18-pentaen-9-yl carbamate

  • Molecular FormulaC44H60N4O10
  • Average mass804.968 Da
  • Monoisotopic mass804.430969 Da
  • ChemSpider ID58961293

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-Hydroxy-8,14-dimethoxy-19-[(6-{[(2E)-3-(2-methoxyphenyl)-2-propenoyl]amino}hexyl)amino]-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6, 10,18-pentaen-9-yl carbamate [ACD/IUPAC Name]
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-Hydroxy-8,14-dimethoxy-19-[(6-{[(2E)-3-(2-methoxyphenyl)-2-propenoyl]amino}hexyl)amino]-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6, 10,18-pentaen-9-ylcarbamat [German] [ACD/IUPAC Name]
2-Propenamide, N-[6-[[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-9-[(aminocarbonyl)oxy]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-4,6,10,18,21-pentaen-19-yl]ami no]hexyl]-3-(2-methoxyphenyl)-, (2E)- [ACD/Index Name]
Carbamate de (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-diméthoxy-19-[(6-{[(2E)-3-(2-méthoxyphényl)-2-propenoyl]amino}hexyl)amino]-4,10,12,16-tétraméthyl-3,20,22-trioxo-2-azabicyclo[16.3.1]doco sa-1(21),4,6,10,18-pentaén-9-yle [French] [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: 1005.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.7±3.0 kJ/mol
Flash Point: 562.0±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 220.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1801.33
ACD/KOC (pH 5.5): 7445.56
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1753.11
ACD/KOC (pH 7.4): 7246.24
Polar Surface Area: 205 Å2
Polarizability: 87.4±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 660.7±5.0 cm3

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