Latanoprost

C₂₆H₄₀O₅ — CID 5311221

About Latanoprost

Latanoprost (PubChem CID 5311221) has the molecular formula C₂₆H₄₀O₅ and a molecular weight of 432.60 g/mol. Its IUPAC name is propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate.

Molecular Properties

• Compound Name: Latanoprost
• PubChem CID: 5311221
• Molecular Formula: C₂₆H₄₀O₅
• Molecular Weight: 432.60 g/mol
• Exact Mass: 432.29
• IUPAC Name: propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
• SMILES: CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O
• InChI: InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1
• InChIKey: GGXICVAJURFBLW-CEYXHVGTSA-N
• XLogP: 4.19
• TPSA: 86.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.60
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Latanoprost?

The IUPAC name of Latanoprost (CID 5311221) is propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate.

What is the SMILES notation for Latanoprost?

The canonical SMILES for Latanoprost is CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O.

What is the InChIKey of Latanoprost?

The InChIKey is GGXICVAJURFBLW-CEYXHVGTSA-N. The full InChI is InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1.

What are the key properties of Latanoprost?

Latanoprost has a molecular weight of 432.60 g/mol, XLogP of 4.19, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Latanoprost is sourced from PubChem (CID 5311221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5311221 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1551 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.