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Search term: PUBYMNIINUUJLL-JOCQNMFKSA-L (Found by InChIKey (full match))
ChemSpider 2D Image | [[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(3R,4R,6R)-3,4-dihydroxy-6-methyl-5-oxo-tetrahydropyran-2-yl] phosphate | C15H21N3O15P2

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

  • Molecular FormulaC15H21N3O15P2
  • Average mass545.287 Da
  • Monoisotopic mass545.045898 Da
  • ChemSpider ID26331058

  • Charge - Charge

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

CDP-4-dehydro-6-deoxy-D-glucose
CDP-4-dehydro-6-deoxy-D-glucose dianion
CDP-4-dehydro-6-deoxy-D-glucose(2-)
cytidine 5'-[3-(6-deoxy-D-xylo-hexopyranosyl-4-ulose) diphosphate]
  • Miscellaneous

    • Chemical Class:

      Dianion of CDP-4-dehydro-6-deoxy-D-glucose arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. ChEBI CHEBI:58166

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

Density:
Boiling Point: 872.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.0±6.0 kJ/mol
Flash Point: 481.2±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.04
ACD/LogD (pH 5.5): -9.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 303 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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