Found 29 results

Search term: MF = 'C_{34}H_{48}O_{12}'
ChemSpider 2D Image | moriniafungin D | C34H48O12

moriniafungin D

  • Molecular FormulaC34H48O12
  • Average mass648.738 Da
  • Monoisotopic mass648.314575 Da
  • ChemSpider ID81360765

  • 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)-9-Formyl-2-({[(2S,5R,6R,7R,9R,10R)-6-hydroxy-10-methoxy-2-(4-methoxy-4-oxobutyl)-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-carbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(1R,2S,4R,5R,8R,9S,11R)-9-Formyl-2-({[(2S,5R,6R,7R,9R,10R)-6-hydroxy-10-methoxy-2-(4-methoxy-4-oxobutyl)-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-carboxylic acid (non-preferred name) [ACD/IUPAC Name]
Acide (1R,2S,4R,5R,8R,9S,11R)-9-formyl-2-({[(2S,5R,6R,7R,9R,10R)-6-hydroxy-10-méthoxy-2-(4-méthoxy-4-oxobutyl)-9-méthyl-3-oxo-1,4,8-trioxaspiro[4.5]déc-7-yl]oxy}méthyl)-13-isopropyl-5-méthyltétracyclo ;[7.4.0.02,11.04,8]tridéc-12-ène-1-carboxylique (non-preferred name) [French] [ACD/IUPAC Name]
moriniafungin D
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4471114/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 757.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.9±6.0 kJ/mol
Flash Point: 234.2±26.4 °C
Index of Refraction: 1.572
Molar Refractivity: 160.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 73.49
ACD/KOC (pH 5.5): 254.96
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 1.53
ACD/KOC (pH 7.4): 5.31
Polar Surface Area: 164 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 489.2±5.0 cm3

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