ChemSpider 2D Image | .beta.-Rubromycin | C27H20O12

β-Rubromycin

  • Molecular FormulaC27H20O12
  • Average mass536.440 Da
  • Monoisotopic mass536.095459 Da
  • ChemSpider ID4576519

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

β-Rubromycin
Methyl (2S)-8,10'-dihydroxy-5,7-dimethoxy-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-8',10-dihydroxy-5',7'-dimethoxy-4',9,9'-trioxo-, methyl ester, (2S)- [ACD/Index Name]
β-rubromycin
??-Rubromycin
27267-70-5 [RN]
METHYL (2S)-8,10'-DIHYDROXY-5,7-DIMETHOXY-4,9,9'-TRIOXO-3',4'-DIHYDRO-3H-SPIRO[NAPHTHO[2,3-B]FURAN-2,2'-PYRANO[3,2-G]ISOCHROMENE]-7'-CARBOXYLATE
METHYL (2S)-8,10'-DIHYDROXY-5,7-DIMETHOXY-4,9,9'-TRIOXO-4,4',9,9'-TETRAHYDRO-3H,3'H-SPIRO[NAPHTHO[2,3-B]FURAN-2,2'-PYRANO[3,2-G]ISOCHROMENE]-7'-CARBOXYLATE
methyl (2S)-8',10-dihydroxy-5',7'-dimethoxy-4',9,9'-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate
β-Rubromycin

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

AIDS001777 [DBID]
AIDS-001777 [DBID]
  • Miscellaneous

    • Bio Activity:

      Antibiotic. HIV-1 reverse transcriptase inhibitor. Human telomerase inhibitor. Cytostatic against different tumor cell lines. Hello Bio [HB3798]
      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio [HB3798]
      Enzymes/Polymerase/Telomerase Hello Bio [HB3798]
      Telomerase inhibitor Hello Bio [HB3798]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 874.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.5±3.0 kJ/mol
Flash Point: 298.9±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: 2.79
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 319.57
ACD/KOC (pH 5.5): 2148.23
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 130.75
ACD/KOC (pH 7.4): 878.94
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

Click to predict properties on the Chemicalize site


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