ChemSpider 2D Image | CMP-Neu5Ac | C20H31N4O16P

CMP-Neu5Ac

  • Molecular FormulaC20H31N4O16P
  • Average mass614.451 Da
  • Monoisotopic mass614.147278 Da
  • ChemSpider ID395082
  • 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}(hydroxy)phosphoryl]oxy}-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahy dro-2H-pyran-2-carbonsäure [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}(hydroxy)phosphoryl]oxy}-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahy dro-2H-pyran-2-carboxylic acid [ACD/IUPAC Name]
22-12-8 [RN]
Acide (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}(hydroxy)phosphoryl]oxy}-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]t étrahydro-2H-pyrane-2-carboxylique [French] [ACD/IUPAC Name]
CMP-N-acetylneuraminate
CMP-N-acetyl-β-neuraminic acid
CMP-Neu5Ac
CMP-sialic acid
CMP-N-acylneuraminate
cytidine monophosphate N-acetylneuraminate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C00128 [DBID]
LI7 [DBID]
  • Miscellaneous

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.737
Molar Refractivity: 122.0±0.5 cm3
#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: 331 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 103.2±7.0 dyne/cm
Molar Volume: 303.5±7.0 cm3

Click to predict properties on the Chemicalize site






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