ChemSpider 2D Image | (2S,3S,4R,5S,6R)-5-Acetamido-6-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]phosphinato}oxy)-3,4-dihydroxytetrahydro-2H-pyr an-2-carboxylate | C17H22N3O18P2

(2S,3S,4R,5S,6R)-5-Acetamido-6-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]phosphinato}oxy)-3,4-dihydroxytetrahydro-2H-pyr an-2-carboxylate

  • Molecular FormulaC17H22N3O18P2
  • Average mass618.315 Da
  • Monoisotopic mass618.039001 Da
  • ChemSpider ID26331255

  • Charge - Charge

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2S,3S,4R,5S,6R)-5-Acetamido-6-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]phosphinato}oxy)-3,4-dihydroxytetrahydro-2H-pyr an-2-carboxylat [German] [ACD/IUPAC Name]
(2S,3S,4R,5S,6R)-5-Acetamido-6-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]phosphinato}oxy)-3,4-dihydroxytetrahydro-2H-pyr an-2-carboxylate [ACD/IUPAC Name]
(2S,3S,4R,5S,6R)-5-Acétamido-6-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}phosphinato)oxy]phosphinato}oxy)-3,4-dihydroxytétrahydro-2H-pyr ane-2-carboxylate [French] [ACD/IUPAC Name]
UDP-N-acetyl-α-D-mannosaminouronate
UDP-N-acetyl-α-D-mannosaminouronate(3-)
  • Miscellaneous

    • Chemical Class:

      A UDP-N-acetyl-D-mannosaminouronate(3-) in which the anomeric centre of the pyranose fragment has alpha-configuration. ChEBI CHEBI:70731

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 21
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.81
ACD/LogD (pH 5.5): -11.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 346 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement