(S)-4-bromo-3-hydroxy-3-methylbutyl diphosphate

chemical compound

ChemicalSubstance group_of_stereoisomers Q27096335

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Key Facts

Canonical SMILES: CC(CCOP(=O)(O)OP(=O)(O)O)(CBr)O^[1]
Chemical formula: C₅H₁₃BrO₈P₂^[2]
Subclass of: chemical compound^[3]
Isomeric SMILES: CC@@(CBr)O^{C@@(CBr)O">[4]}
Mass: 341.927 dalton^[5]

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Quick Facts

Instance of group of stereoisomers

Subclass of chemical compound

Properties

Canonical smiles CC(CCOP(=O)(O)OP(=O)(O)O)(CBr)O

Chemical formula C₅H₁₃BrO₈P₂

Isomeric smiles C[C@@](CCOP(=O)(O)OP(=O)(O)O)(CBr)O

Mass +341.927

External References (11)

Chembl id CHEMBL361403

Chemspider id 394947

Drugbank id DB04170

Inchi InChI=1S/C5H13BrO8P2/c1-5(7,4-6)2-3-13-16(11,12)14-15(8,9)10/h7H,2-4H2,1H3,(H,11,12)(H2,8,9,10)/t5-/m1/s1

Inchikey YKAYCWPQDPILSA-RXMQYKEDSA-N

Pdb ligand id BHI

Pdb structure id 1PPV, 1Q54

Probes and drugs id PD006912

Pubchem cid 448012

Surechembl id 2968174

Unichem compound id 600042

🏷️ Also known as

en (S)-4-bromo-3-hydroxy-3-methylbutyl diphosphate

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

[1] ↑ (S)-4-bromo-3-hydroxy-3-methylbutyl diphosphate — canonical SMILES (P233): CC(CCOP(=O)(O)OP(=O)(O)O)(CBr)O. PubChem. Retrieved 2016-10-19. wikidata.org.
[2] ↑ (S)-4-bromo-3-hydroxy-3-methylbutyl diphosphate — chemical formula (P274): C₅H₁₃BrO₈P₂. PubChem. Retrieved 2016-10-19. wikidata.org.
[3] ↑ (S)-4-bromo-3-hydroxy-3-methylbutyl diphosphate — subclass of (P279): chemical compound. wikidata.org.
[4] ↑ (S)-4-bromo-3-hydroxy-3-methylbutyl diphosphate — isomeric SMILES (P2017): C[C@@](CCOP(=O)(O)OP(=O)(O)O)(CBr)O. PubChem. Retrieved 2016-10-19. wikidata.org.
[5] ↑ (S)-4-bromo-3-hydroxy-3-methylbutyl diphosphate — mass (P2067): 341.927 dalton. PubChem. Retrieved 2016-10-19. wikidata.org.

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APA

4ort.xyz Knowledge Graph. (2026). (S)-4-bromo-3-hydroxy-3-methylbutyl diphosphate. Retrieved May 3, 2026, from https://4ort.xyz/entity/-s-4-bromo-3-hydroxy-3-methylbutyl-diphosphate

MLA

“(S)-4-bromo-3-hydroxy-3-methylbutyl diphosphate.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/-s-4-bromo-3-hydroxy-3-methylbutyl-diphosphate.

BibTeX

@misc{4ortxyz_-s-4-bromo-3-hydroxy-3-methylbutyl-diphosphate_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{(S)-4-bromo-3-hydroxy-3-methylbutyl diphosphate}}, year = {2026}, url = {https://4ort.xyz/entity/-s-4-bromo-3-hydroxy-3-methylbutyl-diphosphate}, note = {Accessed: 2026-05-03}}

LLM prompt

According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): (S)-4-bromo-3-hydroxy-3-methylbutyl diphosphate — https://4ort.xyz/entity/-s-4-bromo-3-hydroxy-3-methylbutyl-diphosphate (retrieved 2026-05-03)

Canonical URL: https://4ort.xyz/entity/-s-4-bromo-3-hydroxy-3-methylbutyl-diphosphate · Last refreshed: May 3, 2026

Edit History

Rolling log of changes to this entity's Wikidata record. Values shown reflect the current state of each edited property — follow the history link to see the precise diff for any edit.

17w ago · Nabbegat · 2026-06-19 view diff on Wikidata ↗

Chembl id → CHEMBL361403

Pdb structure id → 1PPV, 1Q54

Probes and drugs id → PD006912

Imported from → —

+ 15 other properties edited (see Wikidata diff for full list)

"/* wbeditentity-update-languages-short:0||tr */ QuickStatements 3.0 [[:toollabs:qs-dev/batch/37300|batch #37300]]"

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