Ribavirin elaidate
PubChem CID
49848291
Structure
Molecular Formula
Synonyms
- Ribavirin elaidate
- Ribavirin-5'-elaidic acid ester
- UNII-4LU13X0I13
- 4LU13X0I13
- 1352921-29-9
Molecular Weight
508.7 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2011-01-31
- Modify:2025-01-18
Chemical Structure Depiction
Conformer generation is disallowed since too flexible
[(2R,3S,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (E)-octadec-9-enoate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C26H44N4O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(31)35-18-20-22(32)23(33)26(36-20)30-19-28-25(29-30)24(27)34/h9-10,19-20,22-23,26,32-33H,2-8,11-18H2,1H3,(H2,27,34)/b10-9+/t20-,22-,23-,26-/m1/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
HNJWVTLAOZFLEK-OOWZQQDUSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC(=N2)C(=O)N)O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C26H44N4O6
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- Ribavirin elaidate
- Ribavirin-5'-elaidic acid ester
- UNII-4LU13X0I13
- 4LU13X0I13
- 1352921-29-9
- DTXSID00159300
- 1H-1,2,4-Triazole-3-carboxamide, 1-(5-O-((9E)-1-oxo-9-octadecen-1-yl)-beta-D-ribofuranosyl)-
- 1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE, 1-(5-O-((9E)-1-OXO-9-OCTADECEN-1-YL)-.BETA.-D-RIBOFURANOSYL)-
- 1H-1,2,4-Triazole-3-carboxamide, 1-[5-O-[(9E)-1-oxo-9-octadecen-1-yl]-beta-D-ribofuranosyl]-
- DTXCID2081791
- Q27260032
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
508.7 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
5.6
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
20
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
508.32608514 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
508.32608514 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
150 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
36
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
664
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
4
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/1H-1,2,4-Triazole-3-carboxamide, 1-[5-O-[(9E)-1-oxo-9-octadecen-1-yl]-β-D-ribofuranosyl]-https://commonchemistry.cas.org/detail?cas_rn=1352921-29-9
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DrugBankLICENSECreative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode)https://www.drugbank.ca/legal/terms_of_useRibavirin elaidatehttps://www.drugbank.ca/drugs/DB17193
- EPA DSSToxRibavirin elaidatehttps://comptox.epa.gov/dashboard/DTXSID00159300CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingRIBAVIRIN ELAIDATEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/4LU13X0I13
- Wikidataribavirin elaidatehttps://www.wikidata.org/wiki/Q27260032
- PubChem
- NCBI
CONTENTS