Found 25 results

Search term: MF = 'C_{38}H_{56}O_{13}'
ChemSpider 2D Image | moriniafungin G | C38H56O13

moriniafungin G

  • Molecular FormulaC38H56O13
  • Average mass720.843 Da
  • Monoisotopic mass720.372070 Da
  • ChemSpider ID81360768

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(1R,2S,4R,5R,8R,9S,11R)-2-({[(2S,5R,6R,7R,9R,10R)-6-Hydroxy-10-methoxy-2-(8-methoxy-8-oxooctyl)-9-methyl-3-oxo-1,4,8-trioxaspiro[4.5]dec-7-yl]oxy}methyl)-13-isopropyl-5-methyltetracyclo[7.4.0.02,11. 04,8]tridec-12-en-1,9-dicarbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(1R,2S,4R,5R,8R,9S,11R)-2-({[(2S,5R,6R,7R,9R,10R)-6-Hydroxy-10-methoxy-2-(8-methoxy-8-oxooctyl)-9-methyl-3-oxo-1,4,8-trioxaspiro[4.5]dec-7-yl]oxy}methyl)-13-isopropyl-5-methyltetracyclo[7.4.0.02,11. 04,8]tridec-12-ene-1,9-dicarboxylic acid (non-preferred name) [ACD/IUPAC Name]
Acide (1R,2S,4R,5R,8R,9S,11R)-2-({[(2S,5R,6R,7R,9R,10R)-6-hydroxy-10-méthoxy-2-(8-méthoxy-8-oxooctyl)-9-méthyl-3-oxo-1,4,8-trioxaspiro[4.5]déc-7-yl]oxy}méthyl)-13-isopropyl-5-méthyltétracyclo[7.4.0.0 2,11.04,8]tridéc-12-ène-1,9-dicarboxylique (non-preferred name) [French] [ACD/IUPAC Name]
moriniafungin G

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

Density: 1.3±0.1 g/cm3
Boiling Point: 822.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.1±6.0 kJ/mol
Flash Point: 247.4±27.8 °C
Index of Refraction: 1.571
Molar Refractivity: 180.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 7.30
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 478.06
ACD/KOC (pH 5.5): 771.14
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 2.56
Polar Surface Area: 184 Å2
Polarizability: 71.7±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 550.2±5.0 cm3

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