ChemSpider 2D Image | Valerjesomycin | C28H41N3O9

Valerjesomycin

  • Molecular FormulaC28H41N3O9
  • Average mass563.640 Da
  • Monoisotopic mass563.284302 Da
  • ChemSpider ID35034509

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4E,8S,9S,10E,12S,13R,14S)-13,14,20-Trimethoxy-4,10,12-trimethyl-3-oxo-16-oxa-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-8,9-diyldicarbamat [German] [ACD/IUPAC Name]
(4E,8S,9S,10E,12S,13R,14S)-13,14,20-Trimethoxy-4,10,12-trimethyl-3-oxo-16-oxa-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaene-8,9-diyl dicarbamate [ACD/IUPAC Name]
16-Oxa-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-3-one, 8,9-bis[(aminocarbonyl)oxy]-13,14,20-trimethoxy-4,10,12-trimethyl-, (4E,8S,9S,10E,12S,13R,14S)- [ACD/Index Name]
Dicarbamate de (4E,8S,9S,10E,12S,13R,14S)-13,14,20-triméthoxy-4,10,12-triméthyl-3-oxo-16-oxa-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaène-8,9-diyle [French] [ACD/IUPAC Name]
Valerjesomycin
VJ6

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

Density: 1.2±0.1 g/cm3
Boiling Point: 780.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 425.6±32.9 °C
Index of Refraction: 1.555
Molar Refractivity: 147.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 88.57
ACD/KOC (pH 5.5): 861.97
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 88.57
ACD/KOC (pH 7.4): 861.96
Polar Surface Area: 171 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 459.3±5.0 cm3

Click to predict properties on the Chemicalize site


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