ChemSpider 2D Image | Macbecin I | C30H42N2O8

Macbecin I

  • Molecular FormulaC30H42N2O8
  • Average mass558.663 Da
  • Monoisotopic mass558.294128 Da
  • ChemSpider ID29272079
  • 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

(4E,6Z,9R,10E,12S,13R,14S,16S,17R)-13,14,17-Trimethoxy-4,8,10,12,16-pentamethyl-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,9R,10E,12S,13R,14S,16S,17R)-13,14,17-Trimethoxy-4,8,10,12,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-ylcarbamat [German] [ACD/IUPAC Name]
2-Azabicyclo[16.3.1]docosa-4,6,10,18,21-pentaene-3,20,22-trione, 9-[(aminocarbonyl)oxy]-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-, (4E,6Z,9R,10E,12S,13R,14S,16S,17R)- [ACD/Index Name]
73341-72-7 [RN]
Carbamate de (4E,6Z,9R,10E,12S,13R,14S,16S,17R)-13,14,17-triméthoxy-4,8,10,12,16-pentaméthyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaén-9-yle [French] [ACD/IUPAC Name]
Macbecin I

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

Density: 1.2±0.1 g/cm3
Boiling Point: 736.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 399.0±32.9 °C
Index of Refraction: 1.546
Molar Refractivity: 150.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 361.48
ACD/KOC (pH 5.5): 2358.27
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 341.50
ACD/KOC (pH 7.4): 2227.91
Polar Surface Area: 143 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 474.1±5.0 cm3

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