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Isopropyl 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((R)-3-hydroxy-5-phenylpentyl)cyclopentyl)hept-5-enoate

HCID 3890
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Basic information

CAS
155551-81-8
Standard SMILES
CC(C)OC(=O)CCCC=CCC1C(O)CC(O)C1CCC(O)CCc1ccccc1
InChIKey
GGXICVAJURFBLW-UHFFFAOYSA-N
Molecular formula
C26H40O5
Average molar mass
432.6 g/mol
Monoisotopic mass
432.28757437

Names & identifiers

Preferred name
Isopropyl 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((R)-3-hydroxy-5-phenylpentyl)cyclopentyl)hept-5-enoate
IUPAC
propan-2-yl 7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoate

Names & synonyms

trans LatanoprostC26H40O5155551-81-8Isopropyl 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((R)-3-hydroxy-5-phenylpentyl)cyclopentyl)hept-5-enoateSCHEMBL41767292HMS3393H11s4709AKOS030228257isopropyl 7-[3,5-dihydroxy-2-(3-hydroxy-5-phenyl-pentyl)cyclopentyl]hept-5-enoateDB-062728propan-2-yl 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate

Database identifiers

CAS
155551-81-8
PubChem CID
3890

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
87 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
14
Heavy atoms
31
Formal charge
0
Complexity
526

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