ChemSpider 2D Image | (2S,3S,4S,5S,6R)-6-({[({[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]phosphinato}oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carb oxylate (non-preferred name) | C16H20N5O17P2

(2S,3S,4S,5S,6R)-6-({[({[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]phosphinato}oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carb oxylate (non-preferred name)

  • Molecular FormulaC16H20N5O17P2
  • Average mass616.302 Da
  • Monoisotopic mass616.034607 Da
  • ChemSpider ID34999538

  • 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,5S,6R)-6-({[({[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]phosphinato}oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carb oxylat (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3S,4S,5S,6R)-6-({[({[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]phosphinato}oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carb oxylate (non-preferred name) [ACD/IUPAC Name]
(2S,3S,4S,5S,6R)-6-({[({[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}phosphinato)oxy]phosphinato}oxy)-3,4,5-trihydroxytétrahydro-2H-pyrane-2-car boxylate (non-preferred name) [French] [ACD/IUPAC Name]
GDP-α-D-mannuronate
GDP-α-D-mannuronate(3-)
guanosine 5'-[3-(α-D-mannopyranosyluronate) diphosphate]
  • Miscellaneous

    • Chemical Class:

      A GDP-D-mannuronate in which the anomeric centre of the mannuronate fragment has alpha-configuration. ChEBI CHEBI:84886

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: 22
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -2.97
ACD/LogD (pH 5.5): -9.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 373 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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