HZBFMFSUUXCYNE-KOCLOVPASA-N

C₂₅H₄₃F₂NO₇ — CID 143918721

About HZBFMFSUUXCYNE-KOCLOVPASA-N

HZBFMFSUUXCYNE-KOCLOVPASA-N (PubChem CID 143918721) has the molecular formula C₂₅H₄₃F₂NO₇ and a molecular weight of 507.62 g/mol. Its IUPAC name is (2S)-N-[1-[(2S,6R)-6-[(2S)-2,3-dimethoxypropyl]-4,4-difluoro-5,5-dimethyloxan-2-yl]ethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide.

Molecular Properties

• Compound Name: HZBFMFSUUXCYNE-KOCLOVPASA-N
• PubChem CID: 143918721
• Molecular Formula: C₂₅H₄₃F₂NO₇
• Molecular Weight: 507.62 g/mol
• Exact Mass: 507.30
• IUPAC Name: (2S)-N-[1-[(2S,6R)-6-[(2S)-2,3-dimethoxypropyl]-4,4-difluoro-5,5-dimethyloxan-2-yl]ethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
• SMILES: C=C1C[C@](OC)([C@H](O)C(=O)NC(C)[C@@H]2CC(F)(F)C(C)(C)[C@@H](C[C@@H](COC)OC)O2)O[C@H](C)[C@@H]1C
• InChI: InChI=1S/C25H43F2NO7/c1-14-11-24(33-9,35-17(4)15(14)2)21(29)22(30)28-16(3)19-12-25(26,27)23(5,6)20(34-19)10-18(32-8)13-31-7/h15-21,29H,1,10-13H2,2-9H3,(H,28,30)/t15-,16?,17-,18+,19+,20-,21-,24-/m1/s1
• InChIKey: HZBFMFSUUXCYNE-KOCLOVPASA-N
• XLogP: 3.07
• TPSA: 95.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.62
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of HZBFMFSUUXCYNE-KOCLOVPASA-N?

The IUPAC name of HZBFMFSUUXCYNE-KOCLOVPASA-N (CID 143918721) is (2S)-N-[1-[(2S,6R)-6-[(2S)-2,3-dimethoxypropyl]-4,4-difluoro-5,5-dimethyloxan-2-yl]ethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide.

What is the SMILES notation for HZBFMFSUUXCYNE-KOCLOVPASA-N?

The canonical SMILES for HZBFMFSUUXCYNE-KOCLOVPASA-N is C=C1C[C@](OC)([C@H](O)C(=O)NC(C)[C@@H]2CC(F)(F)C(C)(C)[C@@H](C[C@@H](COC)OC)O2)O[C@H](C)[C@@H]1C.

What is the InChIKey of HZBFMFSUUXCYNE-KOCLOVPASA-N?

The InChIKey is HZBFMFSUUXCYNE-KOCLOVPASA-N. The full InChI is InChI=1S/C25H43F2NO7/c1-14-11-24(33-9,35-17(4)15(14)2)21(29)22(30)28-16(3)19-12-25(26,27)23(5,6)20(34-19)10-18(32-8)13-31-7/h15-21,29H,1,10-13H2,2-9H3,(H,28,30)/t15-,16?,17-,18+,19+,20-,21-,24-/m1/s1.

What are the key properties of HZBFMFSUUXCYNE-KOCLOVPASA-N?

HZBFMFSUUXCYNE-KOCLOVPASA-N has a molecular weight of 507.62 g/mol, XLogP of 3.07, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for HZBFMFSUUXCYNE-KOCLOVPASA-N is sourced from PubChem (CID 143918721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143918721 — identifiers, structure, computed properties (public domain)

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