ChemSpider 2D Image | CMP-3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid | C18H28N3O16P

CMP-3-deoxy-D-glycero-β-D-galacto-nonulosonic acid

  • Molecular FormulaC18H28N3O16P
  • Average mass573.399 Da
  • Monoisotopic mass573.120728 Da
  • ChemSpider ID8707152
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(2R,4S,5R,6R)-2-{[{[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-p yran-2-carbonsäure [German] [ACD/IUPAC Name]
(2R,4S,5R,6R)-2-{[{[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-p yran-2-carboxylic acid [ACD/IUPAC Name]
Acide (2R,4S,5R,6R)-2-{[{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tétrahydr o-2H-pyrane-2-carboxylique [French] [ACD/IUPAC Name]
CMP-3-deoxy-D-glycero-β-D-galacto-nonulosonic acid
CMP-3-deoxy-D-glycero-β-D-galacto-nononic acid
CMP-deaminoneuraminic acid
CMP-KDN
cytidine 5'-[(3-deoxy-D-glycero-β-D-galacto-non-2-ulopyranosonyl) hydrogen phosphate]
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:131596
  • Miscellaneous
    • Chemical Class:

      A CMP-sugar having 3-deoxy-<stereo>D</stereo>-<stereo>glycero</stereo>-<stereo>beta</stereo>-<stereo>D</stereo>-<stereo>galacto</stereo>-nonulosonic acid as the sugar component. ChEBI CHEBI:131596

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

Density: 2.1±0.1 g/cm3
Boiling Point: 1011.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 167.2±6.0 kJ/mol
Flash Point: 565.3±37.1 °C
Index of Refraction: 1.758
Molar Refractivity: 109.9±0.5 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.39
ACD/LogD (pH 5.5): -8.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 322 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 115.7±7.0 dyne/cm
Molar Volume: 267.7±7.0 cm3

Click to predict properties on the Chemicalize site






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