Found 1 result

Search term: UDEBDAZBOLNLCQ-FTMOPRGTSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1s,4r,5r,9s,11s)-2-({[(2s,5r,6r,7r,9s,10r)-2-(7-Carboxyheptyl)-6-Hydroxy-10-Methoxy-9-Methyl-3-Oxo-1,4,8-Trioxaspiro[4.5]dec-7-Yl]oxy}methyl)-9-Formyl-13-Isopropyl-5-Methyltetracyclo[7.4.0.02,11.04.8]tridec-12-Ene-1-Carboxylic Acid | C37H54O12

(1s,4r,5r,9s,11s)-2-({[(2s,5r,6r,7r,9s,10r)-2-(7-Carboxyheptyl)-6-Hydroxy-10-Methoxy-9-Methyl-3-Oxo-1,4,8-Trioxaspiro[4.5]dec-7-Yl]oxy}methyl)-9-Formyl-13-Isopropyl-5-Methyltetracyclo[7.4.0.02,11.04.8]tridec-12-Ene-1-Carboxylic Acid

  • Molecular FormulaC37H54O12
  • Average mass690.818 Da
  • Monoisotopic mass690.361511 Da
  • ChemSpider ID25059161

  • 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)-2-(7-Carboxyheptyl)-6-hydroxy-10-methoxy-9-methyl-3-oxo-1,4,8-trioxaspiro[4.5]dec-7-yl]oxy}methyl)-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.02, 11.04,8]tridec-12-en-1-carbonsäure [German] [ACD/IUPAC Name]
(1R,2S,4R,5R,8R,9S,11R)-2-({[(2S,5R,6R,7R,9R,10R)-2-(7-Carboxyheptyl)-6-hydroxy-10-methoxy-9-methyl-3-oxo-1,4,8-trioxaspiro[4.5]dec-7-yl]oxy}methyl)-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.02, 11.04,8]tridec-12-ene-1-carboxylic acid [ACD/IUPAC Name]
(1s,4r,5r,9s,11s)-2-({[(2s,5r,6r,7r,9s,10r)-2-(7-Carboxyheptyl)-6-Hydroxy-10-Methoxy-9-Methyl-3-Oxo-1,4,8-Trioxaspiro[4.5]dec-7-Yl]oxy}methyl)-9-Formyl-13-Isopropyl-5-Methyltetracyclo[7.4.0.02,11.04.8]tridec-12-Ene-1-Carboxylic Acid
Acide (1R,2S,4R,5R,8R,9S,11R)-2-({[(2S,5R,6R,7R,9R,10R)-2-(7-carboxyheptyl)-6-hydroxy-10-méthoxy-9-méthyl-3-oxo-1,4,8-trioxaspiro[4.5]déc-7-yl]oxy}méthyl)-9-formyl-13-isopropyl-5-méthyltétracyclo[7.4. ;0.02,11.04,8]tridéc-12-ène-1-carboxylique [French] [ACD/IUPAC Name]
Moriniafungin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 824.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.4±6.0 kJ/mol
Flash Point: 251.3±27.8 °C
Index of Refraction: 1.575
Molar Refractivity: 174.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 93.12
ACD/KOC (pH 5.5): 179.23
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 528.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement