ChemSpider 2D Image | (1S)-5-Deoxy-1-C-[(2S,3S)-7-{[(1S)-2,6-dideoxy-3-O-(2,6-dideoxyhexopyranosyl)hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methylhexopyranosyl-(1->3)-2,6-dideoxyhexopyranosyl-(1->3)-2,6-dideoxyhexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-D-xylulose | C52H76O24

(1S)-5-Deoxy-1-C-[(2S,3S)-7-{[(1S)-2,6-dideoxy-3-O-(2,6-dideoxyhexopyranosyl)hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methylhexopyranosyl-(1->3)-2,6-dideoxyhexopyranosyl-(1->3)-2,6-dideoxyhexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-D-xylulose

  • Molecular FormulaC52H76O24
  • Average mass1085.145 Da
  • Monoisotopic mass1084.472656 Da
  • ChemSpider ID24605922

  • defined stereocentres - 6 of 25 defined stereocentres

More details:

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

(1S)-5-Deoxy-1-C-[(2S,3S)-7-{[(1S)-2,6-dideoxy-3-O-(2,6-dideoxyhexopyranosyl)hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methylhexopyranosyl-(1->3)-2,6-dideoxyhexopyranosyl-(1->3)-2,6-dideoxyhexopyranosyl] oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl]-1-O-methyl-D-xylulose [ACD/IUPAC Name]
(1S)-5-Deoxy-1-C-[(2S,3S)-7-{[(1S)-2,6-dideoxy-3-O-(2,6-dideoxyhexopyranosyl)hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methylhexopyranosyl-(1->3)-2,6-dideoxyhexopyranosyl-(1->3)-2,6-dideoxyhexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-D-xylulose
(1S)-5-Désoxy-1-C-[(2S,3S)-7-{[(1S)-2,6-didésoxy-3-O-(2,6-didésoxyhexopyranosyl)hexopyranosyl]oxy}-3-{[2,6-didésoxy-3-C-méthylhexopyranosyl-(1->3)-2,6-didésoxyhexopyranosyl-(1->3)-2,6-didésoxyhexopyra nosyl]oxy}-5,10-dihydroxy-6-méthyl-4-oxo-1,2,3,4-tétrahydro-2-anthracényl]-1-O-méthyl-D-xylulose [French] [ACD/IUPAC Name]
D-threo-2-Pentulose, 5-deoxy-1-C-[(2S,3S)-7-[[(1S)-2,6-dideoxy-3-O-(2,6-dideoxyhexopyranosyl)hexopyranosyl]oxy]-3-[[O--2,6-dideoxy-3-C-methylhexopyranosyl-(1->3)-O--2,6-dideoxyhexopyranosyl-(1->3)-2,6 -dideoxyhexopyranosyl]oxy]-1,2,3,4-tetrahydro-5,10-dihydroxy-6-methyl-4-oxo-2-anthracenyl]-1-O-methyl-, (1S)- [ACD/Index Name]
D-threo-2-Pentulose, 5-deoxy-1-C-[(2S,3S)-7-[[(1S)-2,6-dideoxy-3-O-(2,6-dideoxyhexopyranosyl)hexopyranosyl]oxy]-3-[[O--2,6-dideoxy-3-C-methylhexopyranosyl-(1->3)-O--2,6-dideoxyhexopyranosyl-(1->3)-2,6-dideoxyhexopyranosyl]oxy]-1,2,3,4-tetrahydro-5,10-dihydroxy-6-methyl-4-oxo-2-anthracenyl]-1-O-methyl-, (1S)-
(1S)-5-Deoxy-1-C-[(2S,3S)-7-[[2,6-dideoxy-3-O-(2,6-dideoxy-b-D-arabino-hexopyranosyl)-b-D-arabino-hexopyranosyl]oxy]-3-[(O-2,6-dideoxy-3-C-methyl-b-D-ribo-hexopyranosyl-(1.fwdarw.3)-O-2,6-dideoxy-b-D-lyxo-hexopyranosyl-(1.fwdarw.3)-2,6-dideoxy-b-D-arabino
[18378-89-7] [RN]
Mithramycin A
PZ2800000
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Anticancer antibiotic that selectively binds to G-C-rich DNA in the presence of Mg2+ or Zn2+, inhibiting RNA and DNA polymerase action. Inhibits c-myc expression and induces myeloid differentiation of HL-60 promyelocytic leukemia cells. Tocris Bioscience 1489
      Anticancer antibiotic that selectively binds to G-C-rich DNA in the presence of Mg2+ or Zn2+, inhibiting RNA and DNA polymerase action. Inhibits c-myc expression and induces myeloid differentiation of HL-60 promyelocytic leukemia cells. Tocris Bioscience 1489
      Enzymes Tocris Bioscience 1489
      Inhibitor of DNA and RNA polymerase Tocris Bioscience 1489
      Polymerases Tocris Bioscience 1489
      RNA/DNA Polymerase Tocris Bioscience 1489

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1169.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 181.2±3.0 kJ/mol
Flash Point: 327.4±27.8 °C
Index of Refraction: 1.640
Molar Refractivity: 262.3±0.4 cm3
#H bond acceptors: 24
#H bond donors: 11
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 1.29
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.11
ACD/LogD (pH 7.4): -2.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 358 Å2
Polarizability: 104.0±0.5 10-24cm3
Surface Tension: 79.4±5.0 dyne/cm
Molar Volume: 728.3±5.0 cm3

Click to predict properties on the Chemicalize site


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