CMP-Neu5Ac

CAS Registry Number®

3063-71-6
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CAS Name

CMP-Neu5Ac

Molecular Formula

C20H31N4O16P

Molecular Mass

614.45

Cite this Page

CMP-Neu5Ac.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3063-71-6 (retrieved 2024-04-26) (CAS RN: 3063-71-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H31N4O16P/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)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1

InChIKey

InChIKey=TXCIAUNLDRJGJZ-BILDWYJOSA-N

SMILES

O(P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C(=O)N=C(N)C=C2)(=O)O)[C@]3(C(O)=O)O[C@@]([C@@H]([C@@H](CO)O)O)([C@H](NC(C)=O)[C@@H](O)C3)[H]

Canonical SMILES

O=C(O)C1(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1)OP(=O)(O)OCC2OC(N3C=CC(=NC3=O)N)C(O)C2O

Other Names for this Substance

  • β-Neuraminic acid, N-acetyl-, 2-(hydrogen 5′-cytidylate)
  • D-glycero-D-galacto-Nonulopyranosonic acid, 5-acetamido-3,5-dideoxy-, 2→5′-monoester with cytidylic acid
  • D-glycero-β-D-galacto-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-, 2-(hydrogen 5′-cytidylate)
  • Neuraminic acid, N-acetyl-, 2-ester with 5′-cytidylic acid
  • 5′-Cytidylic acid, 5′→2-ester with 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-nonulopyranosonic acid

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Deleted or Replaced CAS Registry Numbers

24739-34-2, 28605-65-4, 31921-05-8, 75027-24-6, 366017-44-9, 150815-54-6

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