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Search term: TXCIAUNLDRJGJZ-BILDWYJOSA-L (Found by InChIKey (full match))
ChemSpider 2D Image | (2R,4S,5R,6R)-5-Acetamido-2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-p yran-2-carboxylate | C20H29N4O16P

(2R,4S,5R,6R)-5-Acetamido-2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-p yran-2-carboxylate

  • Molecular FormulaC20H29N4O16P
  • Average mass612.436 Da
  • Monoisotopic mass612.132690 Da
  • ChemSpider ID26330927

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2R,4S,5R,6R)-5-Acetamido-2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-p yran-2-carboxylat [German] [ACD/IUPAC Name]
(2R,4S,5R,6R)-5-Acetamido-2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-p yran-2-carboxylate [ACD/IUPAC Name]
(2R,4S,5R,6R)-5-Acétamido-2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}phosphinato)oxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tétrahydro-2H-p yrane-2-carboxylate [French] [ACD/IUPAC Name]
CMP-<i>N</i>-acetyl-&β
CMP-N-acetyl-β-neuraminate
CMP-N-acetyl-β-neuraminate dianion
CMP-N-acetyl-β-neuraminate(2-)
cytidine 5'-(5-acetamido-3,5-dideoxy-D-glycero-β-D-galacto-non-2-ulopyranosylonate monophosphate)
cytidine monophosphate <i>N</i>-acetyl-&β;-neuraminate
cytidine monophosphate <i>N</i>-acetyl-&β;-neuraminic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5899715 [DBID]
  • Miscellaneous

    • Chemical Class:

      Dianion of CMP-N-acetyl-beta-neuraminate arising from deprotonation of carboxylic acid and phosphate functions; major species at pH 7.3. ChEBI CHEBI:57812

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: 20
#H bond donors: 11
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -4.61
ACD/LogD (pH 5.5): -9.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 336 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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