ChemSpider 2D Image | Methyl 4',5,8,10'-tetrahydroxy-7-(methylamino)-4,9,9'-trioxo-4,4',9,9'-tetrahydro-3H,3'H-spiro[naphtho[2,3-b]furan-2,2'-pyrano[4,3-g]chromene]-7'-carboxylate | C26H19NO12

Methyl 4',5,8,10'-tetrahydroxy-7-(methylamino)-4,9,9'-trioxo-4,4',9,9'-tetrahydro-3H,3'H-spiro[naphtho[2,3-b]furan-2,2'-pyrano[4,3-g]chromene]-7'-carboxylate

  • Molecular FormulaC26H19NO12
  • Average mass537.429 Da
  • Monoisotopic mass537.090698 Da
  • ChemSpider ID23243032

More details:






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

Methyl 4',5,8,10'-tetrahydroxy-7-(methylamino)-4,9,9'-trioxo-4,4',9,9'-tetrahydro-3H,3'H-spiro[naphtho[2,3-b]furan-2,2'-pyrano[4,3-g]chromene]-7'-carboxylate [ACD/IUPAC Name]
Spiro[benzo[1,2-b:5,4-c']dipyran-2(3H),2'(3'H)-naphtho[2,3-b]furan]-7-carboxylic acid, 4,4',9,9'-tetrahydro-4,5',8',10-tetrahydroxy-7'-(methylamino)-4',9,9'-trioxo-, methyl ester [ACD/Index Name]
methyl 4,4',9,10'-tetrahydroxy-7-methylamino-5,8,9'-trioxospiro[2,3,5,8-tetrahydronaphtho[3,2-b]furan-2,2'-(2',3',4',9'-tetrahydropyrano[4,3-g]chromene)]-7'-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 922.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.6±3.0 kJ/mol
Flash Point: 511.9±34.3 °C
Index of Refraction: 1.787
Molar Refractivity: 124.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.95
ACD/KOC (pH 5.5): 832.90
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 38.24
ACD/KOC (pH 7.4): 374.95
Polar Surface Area: 198 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 114.1±5.0 dyne/cm
Molar Volume: 294.5±5.0 cm3

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