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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 521Generated: October 26, 2026

3-hydroxybutanoyl CoA

https://huagongshe.com/en/chemical/521

3-hydroxybutanoyl CoA molecular structure

Identifiers & Physical Properties

Molecular formulaC25H42N7O18P3S
Average molar mass853.6 g/mol
Monoisotopic mass853.15198968 g/mol
SMILESCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
InChIKeyQHHKKMYHDBRONY-UHFFFAOYSA-N
PubChem CID521

Chemical & Physical Properties

XLogP-5.9
Topological polar surface area409
Hydrogen bond donors10
Hydrogen bond acceptors23
Rotatable bonds22
Heavy atoms54
Formal charge0
Complexity1,450