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(Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-iodo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester

Base Information
  • Chemical Name:(Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-iodo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester
  • CAS No.:115365-23-6
  • Molecular Formula:C13H18 I N2 O9 P
  • Molecular Weight:504.1683
  • Hs Code.:
  • ChEMBL ID:CHEMBL3144444
  • DSSTox Substance ID:DTXSID80921688
  • Wikidata:Q82894684
  • Mol file:115365-23-6.mol
(Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-iodo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester

Synonyms:115365-23-6;(Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-iodo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester;CHEMBL3144444;DTXSID80921688;[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 2-dimethoxyphosphorylacetate;1-{2-Deoxy-5-O-[(dimethoxyphosphoryl)acetyl]pentofuranosyl}-4-hydroxy-5-iodopyrimidin-2(1H)-one

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Chemical Property of (Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-iodo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester
Chemical Property:
  • XLogP3:-1.7
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:9
  • Rotatable Bond Count:8
  • Exact Mass:503.97946
  • Heavy Atom Count:26
  • Complexity:662
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:COP(=O)(CC(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)I)O)OC
  • Isomeric SMILES:COP(=O)(CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)I)O)OC
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