Basic information
- CAS
62559-75-5- Standard SMILES
COC(=O)C(CC/C=C/CC1C(OC2CCCCO2)CC(OC2CCCCO2)C1/C=C/C(COc1cccc(Cl)c1)OC1CCCCO1)[Se]c1ccccc1- InChIKey
ZOBNZHCCYNEYPO-UHFFFAOYSA-N- Molecular formula
- C44H59ClO9Se
- Average molar mass
- 846.4 g/mol
- Monoisotopic mass
- 846.30128
Names & identifiers
- Preferred name
- 5-Heptenoic acid, 7-(2-(4-(3-chlorophenoxy)-3-((tetrahydro-2H-pyran-2-yl)oxy)-1-butenyl)-3,5-bis((tetrahydro-2H-pyran-2-yl)oxy)cyclopentyl)-2-(phenylseleno)-, methyl ester
- IUPAC
- methyl (E)-7-[2-[(E)-4-(3-chlorophenoxy)-3-(oxan-2-yloxy)but-1-enyl]-3,5-bis(oxan-2-yloxy)cyclopentyl]-2-phenylselanylhept-5-enoate
- English name
- 7-[2-[4-(3-Chlorophenoxy)-3-[(tetrahydro-2H-pyran-2-yl)oxy]-1-butenyl]-3,5-bis[(tetrahydro-2H-pyran-2-yl)oxy]cyclopentyl]-2-phenylseleno-5-heptenoic acid methyl ester
- Molecular formula
- C44H59ClO9Se
- Molecular weight
- 846.35
Names & synonyms
62559-75-55-Heptenoic acid, 7-(2-(4-(3-chlorophenoxy)-3-((tetrahydro-2H-pyran-2-yl)oxy)-1-butenyl)-3,5-bis((tetrahydro-2H-pyran-2-yl)oxy)cyclopentyl)-2-(phenylseleno)-, methyl ester7-[2-[4-(3-Chlorophenoxy)-3-[(tetrahydro-2H-pyran-2-yl)oxy]-1-butenyl]-3,5-bis[(tetrahydro-2H-pyran-2-yl)oxy]cyclopentyl]-2-phenylseleno-5-heptenoic acid methyl ester5-Heptenoic acid, 7-[2-[4-(3-chlorophenoxy)-3-[(tetrahydro-2H-pyran-2-yl)oxy]-1-buten-1-yl]-3,5-bis[(tetrahydro-2H-pyran-2-yl)oxy]cyclopentyl]-2-(phenylseleno)-, methyl ester
Database identifiers
- CAS
62559-75-5- PubChem CID
- 6446563
- Nikkaji
- J58.129A
Properties
Computed structural properties
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 20
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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