ChemSpider 2D Image | [(2S,3R,5R)-3-hydroxy-5-(2-imino-6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(4-imino-2-oxo-1,3,5-triazin-1-yl)tetrahydrofuran-3-yl] hydrogen phosphate | C18H24N9O10P

[(2S,3R,5R)-3-hydroxy-5-(2-imino-6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(4-imino-2-oxo-1,3,5-triazin-1-yl)tetrahydrofuran-3-yl] hydrogen phosphate

  • Molecular FormulaC18H24N9O10P
  • Average mass557.411 Da
  • Monoisotopic mass557.138367 Da
  • ChemSpider ID88298815

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

929901-49-5 [RN]
Guadecitabine [INN] [USAN]
Guadecitabine (SGI-110)

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
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: -7.12
ACD/LogD (pH 5.5): -8.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 276 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


Advertisement