CMP-N-glycoloyl-beta-neuraminic acid
Basic information
- CAS
98300-80-2- Standard SMILES
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@@]3(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O3)[C@@H](O)[C@H]2O)c(=O)n1- InChIKey
HOEWKBQADMRCLO-UIUGZIMDSA-N- Molecular formula
- C20H31N4O17P
- Average molar mass
- 630.5 g/mol
- Monoisotopic mass
- 630.14218253
Overview
CMP-N-glycoloyl-beta-neuraminic acid is a CMP-N-acyl-beta-neuraminic acid in which the N-acyl group is glycoloyl. It has a role as a mouse metabolite. It is a conjugate acid of a CMP-N-glycoloyl-beta-neuraminate(2-).
Names & identifiers
- Preferred name
- CMP-N-glycoloyl-beta-neuraminic acid
- IUPAC
- (2R,4S,5R,6R)-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
- English name
- cytidine monophosphate-N-glycoloylneuraminic acid
- Molecular formula
- C20H31N4O17P
- Molecular weight
- 630.450501
Names & synonyms
CMP-N-glycoloyl-beta-neuraminic acidCMP-N-glycolylneuraminateCMP-NeuNGcCMP-beta-Neu5GcCHEBI:18098(2R,4S,5R,6R)-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acidcytidine 5'-[3,5-dideoxy-5-(2-hydroxyacetamido)-D-glycero-beta-D-galacto-non-2-ulopyranosylonic acid monophosphate]cytidine-5'-monophosphono-N-glycoloyllneuraminic acid(2R,4S,5R,6R)-2-(((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl)oxy-4-hydroxy-5-((2-hydroxyacetyl)amino)-6-((1R,2R)-1,2,3-trihydroxypropyl)oxane-2-carboxylic acidcytidine 5'-(3,5-dideoxy-5-(2-hydroxyacetamido)-D-glycero-beta-D-galacto-non-2-ulopyranosylonic acid monophosphate)RefChem:127167Cmp-neu5Gc
Show more names
CMP-NeugcCMP-Neu5Gc.2CMP-Neu5Gc.2NaCMP-Neu5Gc sodium salt
Properties
Computed structural properties
- XLogP
- -7.4
- Topological polar surface area
- 341 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 12
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,140
Physicochemical properties
- Density
- 2.09 · 2.09±0.1 g/cm3(Predicted)
- pka
- 1.3 · 1.30±0.50(Predicted)
- InChIKey
- HOEWKBQADMRCLO-YKNQQZBYSA-N
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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