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Search term: InChIKey=MOBMOJGXNHLLIR-GBNDHIKLSA-L (Found by InChIKey (full match))

ChemSpider 2D Image | (1S)-1,4-Anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-5-O-phosphonato-D-ribitol | C9H11N2O9P

(1S)-1,4-Anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-5-O-phosphonato-D-ribitol

  • Molecular FormulaC9H11N2O9P
  • Average mass322.167 Da
  • Monoisotopic mass322.021301 Da
  • ChemSpider ID26331144
  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1S)-1,4-Anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-5-O-phosphonato-D-ribitol [German] [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-5-O-phosphonato-D-ribitol [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-(2,4-dioxo-1,2,3,4-t├ętrahydro-5-pyrimidinyl)-5-O-phosphonato-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1,4-anhydro-1-C-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-, 5-(dihydrogen phosphate), ion(2-), (1S)- [ACD/Index Name]
(1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphonato-D-ribitol
(1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-ribitol 5-phosphate
5-(5-O-phosphonato-╬▓-D-ribofuranosyl)pyrimidine-2,4(1H,3H)-dione
Pseudouridine 5'-phosphate
pseudouridine 5'-phosphate dianion
pseudouridine 5'-phosphate(2-)
  • Miscellaneous
    • Chemical Class:

      An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of pseudouridine 5'-phosphate; major species at pH 7.3. ChEBI CHEBI:58380

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.88
ACD/LogD (pH 5.5): -6.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability:
Surface Tension:
Molar Volume:

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