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Molecule record

2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

C27H35N6O8P

602.59 g/mol

Loading structure

Molecular properties

Formula
C27H35N6O8P
Molar mass
602.59 g·mol−1
Exact mass
602.2254 Da
13.5
PubChem CID
121304016

Functional groups

Alcohol
Alkane / alkyl carbon
Aromatic ring
Ester
Ether
Nitrile
Primary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 13C3 GS-5734
  • 1809249-37-3
  • 3QKI37EEHE
  • CHEBI:145994
  • DTXCID501508113
  • DTXSID701022537
  • GS 5734 [WHO-DD]
  • GS-465124
Show all 24 synonyms
  • GS-5734
  • GS-829143
  • GS5734
  • HB9521
  • MFCD31657351
  • REMDESIVIR [INN]
  • REMDESIVIR [WHO-DD]
  • RefChem:6679
  • Remdesivir
  • Remdesivir [USAN]
  • SARS-CoV-2 antiviral agents: remdesivir
  • SCHEMBL17712225
  • UNII-3QKI37EEHE
  • Veklury
  • compound 4b [PMID: 28124907]
  • remdesivirum

Structure identifiers

Canonical SMILES
CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1
Isomeric SMILES
CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4
InChI
InChI=1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1
InChIKey
RWWYLEGWBNMMLJ-YSOARWBDSA-N
PubChem CID
121304016

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record