ChemSpider 2D Image | alpha-rubromycin | C27H20O12

α-rubromycin

  • Molecular FormulaC27H20O12
  • Average mass536.440 Da
  • Monoisotopic mass536.095459 Da
  • ChemSpider ID4527173

More details:

Featured data source
The Merck Index Online

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

α-rubromycin
1H-2-Benzopyran-3-carboxylic acid, 6-(2-(4,9-dihydro-8-hydroxy-5,7-dimethoxy-4,9-dioxonaphtho(2,3-b)furan-2-yl)ethyl)-7,8-dihydroxy-1-oxo-, methyl ester
1H-2-Benzopyran-3-carboxylic acid, 6-[2-(4,9-dihydro-8-hydroxy-5,7-dimethoxy-4,9-dioxonaphtho[2,3-b]furan-2-yl)ethyl]-7,8-dihydroxy-1-oxo-, methyl ester [ACD/Index Name]
27267-69-2 [RN]
5XEO5ZD7XP
6-[2-(4,9-Dihydro-8-hydroxy-5,7-dimethoxy-4,9-dioxonaphtho[2,3-b]furan-2-yl)ethyl]-7,8-dihydroxy-1-oxo-1H-2-benzopyran-3-carboxylic Acid Methyl Ester
7,8-Dihydroxy-6-[2-(8-hydroxy-5,7-diméthoxy-4,9-dioxo-4,9-dihydronaphto[2,3-b]furan-2-yl)éthyl]-1-oxo-1H-isochromène-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
a-Rubromycin
Collinomycin
Methyl 7,8-dihydroxy-6-[2-(8-hydroxy-5,7-dimethoxy-4,9-dioxo-4,9-dihydronaphtho[2,3-b]furan-2-yl)ethyl]-1-oxo-1H-isochromene-3-carboxylate [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS001776 [DBID]
AIDS-001776 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 833.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.4±3.0 kJ/mol
Flash Point: 458.1±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 128.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 781.64
ACD/KOC (pH 5.5): 3938.59
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 24.99
ACD/KOC (pH 7.4): 125.94
Polar Surface Area: 179 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 75.3±3.0 dyne/cm
Molar Volume: 341.9±3.0 cm3

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