ChemSpider 2D Image | [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2R,3S,6R)-3-hydroxy-6-methyl-5-oxo-tetrahydropyran-2-yl] phosphate | C16H21N5O14P2

[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2R,3S,6R)-3-hydroxy-6-methyl-5-oxo-tetrahydropyran-2-yl] phosphate

  • Molecular FormulaC16H21N5O14P2
  • Average mass569.312 Da
  • Monoisotopic mass569.057129 Da
  • ChemSpider ID29368097

  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

GDP-4-dehydro-3,6-dideoxy-α-D-mannose
GDP-4-dehydro-3,6-dideoxy-α-D-mannose(2-)
GDP-4-keto-3,6-dideoxy-α-D-mannose(2-)
guanosine 5'-[3-(3,6-dideoxy-α-D-threo-hexopyranosyl-4-ulose) diphosphate]
  • Miscellaneous

    • Chemical Class:

      A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of GDP-4-dehydro-3,6-dideoxy-alpha-D-mannose. ChEBI CHEBI:73931

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: 19
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.24
ACD/LogD (pH 5.5): -8.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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