ChemSpider 2D Image | .gamma.-Rubromycin | C26H18O12


  • Molecular FormulaC26H18O12
  • Average mass522.414 Da
  • Monoisotopic mass522.079834 Da
  • ChemSpider ID4576520
  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source

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

27267-71-6 [RN]
Methyl (2S)-4,9,10'-trihydroxy-7-methoxy-5,8,9'-trioxo-4',5,8,9'-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, 4,5',8',9-tetrahydro-4',9',10-trihydroxy-7'-methoxy-5',8',9-trioxo-, methyl ester, (2S)- [ACD/Index Name]
(S)-methyl 4,9,10'-trihydroxy-7-methoxy-5,8,9'-trioxo-4',5,8,9'-tetrahydro-3H,3'H-spiro[naphtho[2,3-b]furan-2,2'-pyrano[4,3-g]chromene]-7'-carboxylate
Methyl (2S)-4',9',10-trihydroxy-7'-methoxy-5',8',9-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate

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

AIDS001778 [DBID]
AIDS-001778 [DBID]
  • Miscellaneous
    • Bio Activity:

      Antibiotic. HIV-1 reverse transcriptase and human telomerase inhibitor. Antibacterial. Cytostatically active against different tumor cell lines. Hello Bio HB3907
      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio HB3907
      Enzymes/Polymerase/Telomerase Hello Bio HB3907
      Telomerase inhibitor Hello Bio HB3907

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

Density: 1.8±0.1 g/cm3
Boiling Point: 909.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.7±3.0 kJ/mol
Flash Point: 313.5±27.8 °C
Index of Refraction: 1.759
Molar Refractivity: 121.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 470.49
ACD/KOC (pH 5.5): 2708.94
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 28.17
ACD/KOC (pH 7.4): 162.19
Polar Surface Area: 175 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 104.0±5.0 dyne/cm
Molar Volume: 294.9±5.0 cm3

Click to predict properties on the Chemicalize site