Basic information
- CAS
140694-43-5- Standard SMILES
CCC#CCC(C)(C)[C@H](O)C#C[C@@H]1[C@H]2CCC(CCOCC(=O)O)=C[C@H]2C[C@H]1O- InChIKey
XTIXMPSOPHPWLE-VNXMGFANSA-N- Molecular formula
- C24H34O5
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.24062418
Overview
structure given in first source
Names & identifiers
- Preferred name
- TY 11223
- IUPAC
- 2-[2-[(1S,2R,3aS,7aS)-2-hydroxy-1-[(3S)-3-hydroxy-4,4-dimethylnona-1,6-diynyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]ethoxy]acetic acid
- English name
- TY 11223
- Molecular formula
- C24H34O5
- Molecular weight
- 402.528
Names & synonyms
140694-43-5TY 11223TY-11223DTXSID80161461RefChem:192617DTXCID10839522-[2-[(1S,2R,3aS,7aS)-2-hydroxy-1-[(3S)-3-hydroxy-4,4-dimethylnona-1,6-diynyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]ethoxy]acetic acidAcetic acid, (2-(2,3,3a,6,7,7a-hexahydro-2-hydroxy-1-(3-hydroxy-4,4-diemthyl-1,6-nonadiynyl)-1H-inden-5-yl)ethoxy)-, (1S-(1alpha(R*),2beta,3aalpha,7aalpha))-orb1738731SCHEMBL1651535(2-{(1S,2R,3aS,7aS)-2-Hydroxy-1-[(3S)-3-hydroxy-4,4-dimethylnona-1,6-diyn-1-yl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl}ethoxy)acetic acid
Database identifiers
- CAS
140694-43-5- PubChem CID
- 3083324
- DTXSID
DTXSID80161461
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 738
Chemistry & industry
Applications
DescriptionTY 11223 is a chemically stable homoisocarbacyclin analog. It has showed potent and long-lasting activities in inhibiting platelet aggregation and a good selectivity in biological activities.
Suppliers1 total
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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