ChemSpider 2D Image | CMP-NeuGc | C20H31N4O17P

CMP-NeuGc

  • Molecular FormulaC20H31N4O17P
  • Average mass630.451 Da
  • Monoisotopic mass630.142212 Da
  • ChemSpider ID570886

  • 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}-5-(glycoloylamino)-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl] tetrahydro-2H-pyran-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}-5-(glycoloylamino)-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl] tetrahydro-2H-pyran-2-carboxylic acid [ACD/IUPAC Name]
98300-80-2 [RN]
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-hydroxy-5-[(2-hydroxyacétyl)amino]-6-[(1R,2R)-1,2,3-tri hydroxypropyl]tétrahydro-2H-pyrane-2-carboxylique [French] [ACD/IUPAC Name]
CMP-NeuGc
CMP-N-glycoloyl-β-neuraminic acid
7789465 [Beilstein]
Cmp-neu5Gc
CMP-NeuNGc
CMP-N-glycoloylneuraminate
More...

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

C03691 [DBID]
  • Miscellaneous

    • Chemical Class:

      A CMP-<element>N</element>-acyl-<stereo>beta</stereo>-neuraminic acid in which the <element>N</element>-acyl group is glycoloyl. ChEBI CHEBI:18098
      A CMP-N-acyl-beta-neuraminic acid in which the N-acyl group is glycoloyl. ChEBI CHEBI:18098

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.752
Molar Refractivity: 123.1±0.5 cm3
#H bond acceptors: 21
#H bond donors: 12
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -4.95
ACD/LogD (pH 5.5): -10.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 351 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 111.7±7.0 dyne/cm
Molar Volume: 301.6±7.0 cm3

Click to predict properties on the Chemicalize site


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