ChemSpider 2D Image | [(2S,3S,4S,5R,6R)-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)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl] methanesulfonate | C15H21N2O19P2S

[(2S,3S,4S,5R,6R)-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)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl] methanesulfonate

  • Molecular FormulaC15H21N2O19P2S
  • Average mass627.343 Da
  • Monoisotopic mass626.995117 Da
  • ChemSpider ID26331788

  • Charge - Charge

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

[(2S,3S,4S,5R,6R)-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)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl] methanesulfonate [ACD/IUPAC Name]
[(2S,3S,4S,5R,6R)-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)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl] méthanesulfonate [French] [ACD/IUPAC Name]
[(2S,3S,4S,5R,6R)-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)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl] methansulfonat [German] [ACD/IUPAC Name]
-D-sulfoquinovopyranose
UDP-&α
UDP-&α;-D-sulfoquinovose
UDP-6-sulfoquinovose
UDP-6-sulfoquinovose(3-)
UDP-sulfoquinovose
UDP-α-D-6-sulfoquinovose
More...
  • Miscellaneous

    • Chemical Class:

      Trianion of UDP-6-sulfoquinovose arising from deprotonation of diphosphate and sulfonate OH groups; major species at pH 7.3. ChEBI CHEBI:60009

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: -6.18
ACD/LogD (pH 5.5): -12.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 362 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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