ChemSpider 2D Image | GDP-D-mannuronic acid | C16H23N5O17P2

GDP-D-mannuronic acid

  • Molecular FormulaC16H23N5O17P2
  • Average mass619.325 Da
  • Monoisotopic mass619.056396 Da
  • ChemSpider ID388478

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(2S,3S,4S,5S)-6-{[{[{[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxytetrahydro-2H -pyran-2-carbonsäure [German] [ACD/IUPAC Name]
(2S,3S,4S,5S)-6-{[{[{[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxytetrahydro-2H -pyran-2-carboxylic acid [ACD/IUPAC Name]
Acide (2S,3S,4S,5S)-6-{[{[{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxytétrahy dro-2H-pyrane-2-carboxylique [French] [ACD/IUPAC Name]
GDP-D-mannuronic acid
(2S,3S,4S,5S)-6-{[{[{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
GDP-D-mannuronate
guanosine 5'-[3-(D-mannopyranosyluronic acid) dihydrogen diphosphate]
guanosine 5'-[3-(D-mannopyranosyluronic acid) diphosphate]

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

C00976 [DBID]
CHEBI:21161 [DBID]
  • Miscellaneous

    • Chemical Class:

      A GDP-sugar having <stereo>D</stereo>-mannuronic acid as the sugar component. ChEBI CHEBI:21161
      A GDP-sugar having D-mannuronic acid as the sugar component. ChEBI CHEBI:21161

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

Density: 2.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.916
Molar Refractivity: 112.0±0.5 cm3
#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: 364 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 172.5±7.0 dyne/cm
Molar Volume: 237.8±7.0 cm3

Click to predict properties on the Chemicalize site


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