Trichalasin F

C₂₄H₃₇NO₅ — CID 139586189

About Trichalasin F

Trichalasin F (PubChem CID 139586189) has the molecular formula C₂₄H₃₇NO₅ and a molecular weight of 419.56 g/mol. Its IUPAC name is (1R,5R,6R,12S,15S,16S,17S)-5,6-dihydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatricyclo[10.7.0.01,16]nonadeca-10,13-diene-3,19-dione.

Molecular Properties

• Compound Name: Trichalasin F
• PubChem CID: 139586189
• Molecular Formula: C₂₄H₃₇NO₅
• Molecular Weight: 419.56 g/mol
• Exact Mass: 419.27
• IUPAC Name: (1R,5R,6R,12S,15S,16S,17S)-5,6-dihydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatricyclo[10.7.0.01,16]nonadeca-10,13-diene-3,19-dione
• SMILES: CC1=C[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC(C)C)NC(=O)[C@@]23OC(=O)C[C@@H](O)[C@H](O)CCC1
• InChI: InChI=1S/C24H37NO5/c1-13(2)9-18-22-16(5)15(4)11-17-10-14(3)7-6-8-19(26)20(27)12-21(28)30-24(17,22)23(29)25-18/h10-11,13,16-20,22,26-27H,6-9,12H2,1-5H3,(H,25,29)/t16-,17+,18+,19-,20-,22+,24-/m1/s1
• InChIKey: SCJLXYAZSYMPRD-NFZUWLOISA-N
• XLogP: 2.88
• TPSA: 95.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.56
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Trichalasin F?

The IUPAC name of Trichalasin F (CID 139586189) is (1R,5R,6R,12S,15S,16S,17S)-5,6-dihydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatricyclo[10.7.0.01,16]nonadeca-10,13-diene-3,19-dione.

What is the SMILES notation for Trichalasin F?

The canonical SMILES for Trichalasin F is CC1=C[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC(C)C)NC(=O)[C@@]23OC(=O)C[C@@H](O)[C@H](O)CCC1.

What is the InChIKey of Trichalasin F?

The InChIKey is SCJLXYAZSYMPRD-NFZUWLOISA-N. The full InChI is InChI=1S/C24H37NO5/c1-13(2)9-18-22-16(5)15(4)11-17-10-14(3)7-6-8-19(26)20(27)12-21(28)30-24(17,22)23(29)25-18/h10-11,13,16-20,22,26-27H,6-9,12H2,1-5H3,(H,25,29)/t16-,17+,18+,19-,20-,22+,24-/m1/s1.

What are the key properties of Trichalasin F?

Trichalasin F has a molecular weight of 419.56 g/mol, XLogP of 2.88, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Trichalasin F is sourced from PubChem (CID 139586189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139586189 — identifiers, structure, computed properties (public domain)

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