Rosaprostol

C₁₈H₃₄O₃ — CID 6917723

About Rosaprostol

Rosaprostol (PubChem CID 6917723) has the molecular formula C₁₈H₃₄O₃ and a molecular weight of 298.47 g/mol. Its IUPAC name is 7-[(1R,2S)-2-hexyl-5-hydroxycyclopentyl]heptanoic acid.

Molecular Properties

• Compound Name: Rosaprostol
• PubChem CID: 6917723
• Molecular Formula: C₁₈H₃₄O₃
• Molecular Weight: 298.47 g/mol
• Exact Mass: 298.25
• IUPAC Name: 7-[(1R,2S)-2-hexyl-5-hydroxycyclopentyl]heptanoic acid
• SMILES: CCCCCC[C@H]1CCC(O)[C@@H]1CCCCCCC(=O)O
• InChI: InChI=1S/C18H34O3/c1-2-3-4-7-10-15-13-14-17(19)16(15)11-8-5-6-9-12-18(20)21/h15-17,19H,2-14H2,1H3,(H,20,21)/t15-,16+,17?/m0/s1
• InChIKey: NMAOJFAMEOVURT-RTKIROINSA-N
• XLogP: 4.77
• TPSA: 57.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.47
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Rosaprostol?

The IUPAC name of Rosaprostol (CID 6917723) is 7-[(1R,2S)-2-hexyl-5-hydroxycyclopentyl]heptanoic acid.

What is the SMILES notation for Rosaprostol?

The canonical SMILES for Rosaprostol is CCCCCC[C@H]1CCC(O)[C@@H]1CCCCCCC(=O)O.

What is the InChIKey of Rosaprostol?

The InChIKey is NMAOJFAMEOVURT-RTKIROINSA-N. The full InChI is InChI=1S/C18H34O3/c1-2-3-4-7-10-15-13-14-17(19)16(15)11-8-5-6-9-12-18(20)21/h15-17,19H,2-14H2,1H3,(H,20,21)/t15-,16+,17?/m0/s1.

What are the key properties of Rosaprostol?

Rosaprostol has a molecular weight of 298.47 g/mol, XLogP of 4.77, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Rosaprostol is sourced from PubChem (CID 6917723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6917723 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2404 — approved-drug record (CC BY-SA 4.0)

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