ChemSpider 2D Image | Guadecitabine | C18H24N9O10P

Guadecitabine

  • Molecular FormulaC18H24N9O10P
  • Average mass557.411 Da
  • Monoisotopic mass557.138367 Da
  • ChemSpider ID32701891

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

2KT4YN1DP7
929901-49-5 [RN]
guadecitabina [Spanish] [INN]
Guadecitabine [INN] [USAN]
guadécitabine [French] [INN]
guadecitabinum [Latin] [INN]
Гуадецитабин [Russian] [INN]
غواديسيتابين [Arabic] [INN]
鸟地西他滨 [Chinese] [INN]
(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1(2H)-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl (((2R,3S,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl) hydrogen phosphate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10102 [DBID]
SGI-110 [DBID]
SGI-110 free acid [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-13542
      DNMT MedChem Express HY-13542
      SGI-110 is a small molecule, DNMT inhibitor with demonstrated activity in restoring silenced tumor suppressor gene expression in cancer cells by reversal of DNA methylation. MedChem Express
      SGI-110 is a small molecule, DNMT inhibitor with demonstrated activity in restoring silenced tumor suppressor gene expression in cancer cells by reversal of DNA methylation.; IC50 value:; Target: DNMT; SGI-110 is a 5-aza-2'-deoxycytidine-containing demethylating dinucleotide. MedChem Express HY-13542

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

Density: 2.2±0.1 g/cm3
Boiling Point: 956.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.9±3.0 kJ/mol
Flash Point: 532.2±37.1 °C
Index of Refraction: 1.922
Molar Refractivity: 117.3±0.5 cm3
#H bond acceptors: 19
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.38
ACD/LogD (pH 5.5): -7.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 281 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 131.4±7.0 dyne/cm
Molar Volume: 248.0±7.0 cm3

Click to predict properties on the Chemicalize site


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