4-Amino-1-[5-O-(1-oxohexadecyl)-β-D-arabinofuranosyl]-2(1H)-pyrimidinone

CAS Registry Number®

31088-06-9

CAS Name

4-Amino-1-[5-O-(1-oxohexadecyl)-β-D-arabinofuranosyl]-2(1H)-pyrimidinone

Molecular Formula

C25H43N3O6

Molecular Mass

481.63

Cite this Page

4-Amino-1-[5-O-(1-oxohexadecyl)-β-D-arabinofuranosyl]-2(1H)-pyrimidinone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=31088-06-9 (retrieved 2024-12-23) (CAS RN: 31088-06-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H43N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(29)33-18-19-22(30)23(31)24(34-19)28-17-16-20(26)27-25(28)32/h16-17,19,22-24,30-31H,2-15,18H2,1H3,(H2,26,27,32)/t19-,22-,23+,24-/m1/s1

InChIKey

InChIKey=SHBAKEKBTCPUFI-OUJCMCIWSA-N

SMILES

O[C@@H]1[C@@H](O[C@H](COC(CCCCCCCCCCCCCCC)=O)[C@H]1O)N2C(=O)N=C(N)C=C2

Canonical SMILES

O=C1N=C(N)C=CN1C2OC(COC(=O)CCCCCCCCCCCCCCC)C(O)C2O

Other Names for this Substance

  • 2(1H)-Pyrimidinone, 4-amino-1-[5-O-(1-oxohexadecyl)-β-D-arabinofuranosyl]-
  • Cytosine, 1-β-D-arabinofuranosyl-, 5′-palmitate
  • Palmitic acid, 5′-ester with 1-β-D-arabinofuranosylcytosine
  • 4-Amino-1-[5-O-(1-oxohexadecyl)-β-D-arabinofuranosyl]-2(1H)-pyrimidinone
  • 5′-O-Palmitoyl-1-β-D-arabinofuranosylcytosine

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Deleted or Replaced CAS Registry Numbers

50922-53-7

CAS INSIGHTSTM
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