ChemSpider 2D Image | Methyl 6,10'-dihydroxy-7,9-dimethoxy-4,5,9'-trioxo-4,4',5,9'-tetrahydro-3H,3'H-spiro[naphtho[1,2-b]furan-2,2'-pyrano[4,3-g]chromene]-7'-carboxylate | C27H20O12

Methyl 6,10'-dihydroxy-7,9-dimethoxy-4,5,9'-trioxo-4,4',5,9'-tetrahydro-3H,3'H-spiro[naphtho[1,2-b]furan-2,2'-pyrano[4,3-g]chromene]-7'-carboxylate

  • Molecular FormulaC27H20O12
  • Average mass536.440 Da
  • Monoisotopic mass536.095459 Da
  • ChemSpider ID8500350

More details:

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

Methyl 6,10'-dihydroxy-7,9-dimethoxy-4,5,9'-trioxo-4,4',5,9'-tetrahydro-3H,3'H-spiro[naphtho[1,2-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(1,2-b)furan)-7-carboxylic acid, 4,4',5',9-tetrahydro-6',10-dihydroxy-7',9'-dimethoxy-4',5',9-trioxo-, methyl ester
Spiro[benzo[1,2-b:5,4-c']dipyran-2(3H),2'(3'H)-naphtho[1,2-b]furan]-7-carboxylic acid, 4,4',5',9-tetrahydro-6',10-dihydroxy-7',9'-dimethoxy-4',5',9-trioxo-, methyl ester [ACD/Index Name]
??-Rubromycin
27267-70-5 [RN]
Å-Rubromycin
MFCD03095570
β-rubromycin
β-Rubromycin

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

Density: 1.7±0.1 g/cm3
Boiling Point: 861.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.4±3.0 kJ/mol
Flash Point: 294.2±27.8 °C
Index of Refraction: 1.716
Molar Refractivity: 125.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 70.69
ACD/KOC (pH 5.5): 718.22
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 10.77
ACD/KOC (pH 7.4): 109.44
Polar Surface Area: 164 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 89.1±5.0 dyne/cm
Molar Volume: 320.0±5.0 cm3

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