(5Z,9 alpha)-9,11-Dihydroxy-15-oxothrombox-5-en-1-oic acid
Basic information
- CAS
62107-18-0- Standard SMILES
CCCCCC(=O)CC[C@H]1OC(O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O- InChIKey
APHSFGGFXCDPTM-VYKMRYAHSA-N- Molecular formula
- C20H34O6
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.2355388
Names & identifiers
- Preferred name
- (5Z,9 alpha)-9,11-Dihydroxy-15-oxothrombox-5-en-1-oic acid
- IUPAC
- (Z)-7-[(2R,3S,4S)-4,6-dihydroxy-2-(3-oxooctyl)oxan-3-yl]hept-5-enoic acid
Names & synonyms
15-Keto-13,14-dihydrothromboxane B215-Keto-13,14-dihydro TXB2(5Z,9 alpha)-9,11-Dihydroxy-15-oxothrombox-5-en-1-oic acidLMFA0303001962107-18-09S,11-Dihydroxy-15-oxothrombox-5Z-en-1-oic acid
Database identifiers
- CAS
62107-18-0- PubChem CID
- 6443579
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 448
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Thromboxanes [FA0303]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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