CC(=O)N[C@H]1C([C@H](O)[C@H](O)CO)O[C@](OP(=O)([O-])OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(C(=O)O)C[C@@H]1O.[Na+]

Name: CMP-NeuAc

IUPAC: sodium [(2R,4S,5R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate

SMILES:

CC(=O)N[C@H]1C([C@H](O)[C@H](O)CO)O[C@](OP(=O)([O-])OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(C(=O)O)C[C@@H]1O.[Na+]

Canonical SMILES: CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OP(=O)([O-])OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)O.[Na+]

Molecular formula: C20H30N4NaO16P

Molecular weight: 636.40

InChIKey: VFRHSOGUONIUOR-CTFMUGKASA-M

InChI:

InChI=1S/C20H31N4O16P.Na/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34;/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34);/q;+1/p-1/t8-,9+,10+,12+,13+,14+,15+,16?,17+,20+;/m0./s1

PubChem CID: 23679065 →

Synonyms

CMP-NeuAcCMP-NANSCHEMBL29377374VFRHSOGUONIUOR-CTFMUGKASA-MCytidine-5'-monophospho-N-acetylneuraminic acid sodium salt, >=85% (HPLC)

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