ChemSpider 2D Image | Macbecin | C30H42N2O8

Macbecin

  • Molecular FormulaC30H42N2O8
  • Average mass558.663 Da
  • Monoisotopic mass558.294128 Da
  • ChemSpider ID65321675
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres


More details:






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

(6Z,8S,10E,12R,13S,14R,16S,17R)-3-Hydroxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl hydrogen carbonimidate [ACD/IUPAC Name]
(6Z,8S,10E,12R,13S,14R,16S,17R)-3-Hydroxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-ylhydrogenkohlenstoffimidat [German] [ACD/IUPAC Name]
2-Azabicyclo[16.3.1]docosa-2,4,6,10,18,21-hexaene-20,22-dione, 3-hydroxy-9-(hydroxyiminomethoxy)-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-, (6Z,8S,10E,12R,13S,14R,16S,17R)- [ACD/Index Name]
Hydrogénocarbonimidate de (6Z,8S,10E,12R,13S,14R,16S,17R)-3-hydroxy-13,14,17-triméthoxy-4,8,10,12,16-pentaméthyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaén-9-yle [French] [ACD/IUPAC Name]
Macbecin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 686.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.1±6.0 kJ/mol
Flash Point: 369.0±34.3 °C
Index of Refraction: 1.547
Molar Refractivity: 148.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 1.10
ACD/KOC (pH 5.5): 6.69
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.08
Polar Surface Area: 148 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 39.2±7.0 dyne/cm
Molar Volume: 467.3±7.0 cm3

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