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Search term: 24712973 (Found by CSID)
ChemSpider 2D Image | Methyl (2R)-4-({2-hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoyl}oxy)-6'-methoxy-6-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-2'-carboxylate | C34H28O14

Methyl (2R)-4-({2-hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoyl}oxy)-6'-methoxy-6-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-2'-carboxylate

  • Molecular FormulaC34H28O14
  • Average mass660.578 Da
  • Monoisotopic mass660.147888 Da
  • ChemSpider ID24712973

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Methyl (2R)-4-({2-hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoyl}oxy)-6'-methoxy-6-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-2'-carboxylate [ACD/IUPAC Name]
Spiro[benzofuran-2(3H),1'-cyclohexa[2,5]diene]-2'-carboxylic acid, 4-[[2-hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoyl]oxy]-6'-methoxy-6-methyl-3,4'-dioxo-, methyl ester, (2R)- [ACD/Index Name]
geomycin C
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL507180/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 883.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.7±3.0 kJ/mol
Flash Point: 282.6±27.8 °C
Index of Refraction: 1.666
Molar Refractivity: 161.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2510.96
ACD/KOC (pH 5.5): 9330.63
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 570.20
ACD/KOC (pH 7.4): 2118.85
Polar Surface Area: 190 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 76.5±5.0 dyne/cm
Molar Volume: 434.0±5.0 cm3

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