(Z)-N-[6-(dihydroxyamino)oxyhexyl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide

C28H52N2O7 — CID 89069037

About (Z)-N-[6-(dihydroxyamino)oxyhexyl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide

(Z)-N-[6-(dihydroxyamino)oxyhexyl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide (PubChem CID 89069037) has the molecular formula C28H52N2O7 and a molecular weight of 528.73 g/mol. Its IUPAC name is (Z)-N-[6-(dihydroxyamino)oxyhexyl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide.

Molecular Properties

• Compound Name: (Z)-N-[6-(dihydroxyamino)oxyhexyl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide
• PubChem CID: 89069037
• Molecular Formula: C28H52N2O7
• Molecular Weight: 528.73 g/mol
• Exact Mass: 528.38
• IUPAC Name: (Z)-N-[6-(dihydroxyamino)oxyhexyl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide
• SMILES: CCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)NCCCCCCON(O)O)[C@@H](O)C[C@H]1O
• InChI: InChI=1S/C28H52N2O7/c1-2-3-4-5-10-15-23(31)18-19-25-24(26(32)22-27(25)33)16-11-6-7-12-17-28(34)29-20-13-8-9-14-21-37-30(35)36/h6,11,24-27,32-33,35-36H,2-5,7-10,12-22H2,1H3,(H,29,34)/b11-6-/t24-,25-,26+,27-/m1/s1
• InChIKey: YRSWAVUHAKZSCN-KTNXRSKJSA-N
• XLogP: 4.86
• TPSA: 139.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 23
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.73
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[6-(dihydroxyamino)oxyhexyl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide?

The IUPAC name of (Z)-N-[6-(dihydroxyamino)oxyhexyl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide (CID 89069037) is (Z)-N-[6-(dihydroxyamino)oxyhexyl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide.

What is the SMILES notation for (Z)-N-[6-(dihydroxyamino)oxyhexyl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide?

The canonical SMILES for (Z)-N-[6-(dihydroxyamino)oxyhexyl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide is CCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)NCCCCCCON(O)O)[C@@H](O)C[C@H]1O.

What is the InChIKey of (Z)-N-[6-(dihydroxyamino)oxyhexyl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide?

The InChIKey is YRSWAVUHAKZSCN-KTNXRSKJSA-N. The full InChI is InChI=1S/C28H52N2O7/c1-2-3-4-5-10-15-23(31)18-19-25-24(26(32)22-27(25)33)16-11-6-7-12-17-28(34)29-20-13-8-9-14-21-37-30(35)36/h6,11,24-27,32-33,35-36H,2-5,7-10,12-22H2,1H3,(H,29,34)/b11-6-/t24-,25-,26+,27-/m1/s1.

What are the key properties of (Z)-N-[6-(dihydroxyamino)oxyhexyl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide?

(Z)-N-[6-(dihydroxyamino)oxyhexyl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide has a molecular weight of 528.73 g/mol, XLogP of 4.86, 23 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[6-(dihydroxyamino)oxyhexyl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide is sourced from PubChem (CID 89069037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).