(Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(Z,2S,3R)-12-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]oxy-3-hydroxydodec-7-en-2-yl]-2-hydroxydec-5-enamide

C61H105NO9 — CID 10796054

About (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(Z,2S,3R)-12-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]oxy-3-hydroxydodec-7-en-2-yl]-2-hydroxydec-5-enamide

(Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(Z,2S,3R)-12-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]oxy-3-hydroxydodec-7-en-2-yl]-2-hydroxydec-5-enamide (PubChem CID 10796054) has the molecular formula C61H105NO9 and a molecular weight of 996.51 g/mol. Its IUPAC name is (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(Z,2S,3R)-12-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]oxy-3-hydroxydodec-7-en-2-yl]-2-hydroxydec-5-enamide.

Molecular Properties

• Compound Name: (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(Z,2S,3R)-12-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]oxy-3-hydroxydodec-7-en-2-yl]-2-hydroxydec-5-enamide
• PubChem CID: 10796054
• Molecular Formula: C61H105NO9
• Molecular Weight: 996.51 g/mol
• Exact Mass: 995.78
• IUPAC Name: (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(Z,2S,3R)-12-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]oxy-3-hydroxydodec-7-en-2-yl]-2-hydroxydec-5-enamide
• SMILES: CCCCCCCCCC[C@H]1C[C@H]1CCCC/C=C\CCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OCc1ccccc1)NC(=O)[C@H](O)CC/C=C\CCCC[C@@H]1C[C@@H]1CCCCCCCCCC
• InChI: InChI=1S/C61H105NO9/c1-3-5-7-9-11-14-20-29-37-49-43-51(49)39-31-22-16-13-17-24-33-41-54(64)53(47-70-61-59(58(67)57(66)56(45-63)71-61)69-46-48-35-27-26-28-36-48)62-60(68)55(65)42-34-25-19-18-23-32-40-52-44-50(52)38-30-21-15-12-10-8-6-4-2/h13,17,19,25-28,35-36,49-59,61,63-67H,3-12,14-16,18,20-24,29-34,37-47H2,1-2H3,(H,62,68)/b17-13-,25-19-/t49-,50-,51+,52+,53-,54+,55+,56+,57-,58-,59+,61+/m0/s1
• InChIKey: GWLAGNVKZLAHER-UIHODJAZSA-N
• XLogP: 12.75
• TPSA: 157.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 45
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	996.51
LogP ≤ 5	12.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

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 (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(Z,2S,3R)-12-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]oxy-3-hydroxydodec-7-en-2-yl]-2-hydroxydec-5-enamide?

The IUPAC name of (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(Z,2S,3R)-12-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]oxy-3-hydroxydodec-7-en-2-yl]-2-hydroxydec-5-enamide (CID 10796054) is (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(Z,2S,3R)-12-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]oxy-3-hydroxydodec-7-en-2-yl]-2-hydroxydec-5-enamide.

What is the SMILES notation for (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(Z,2S,3R)-12-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]oxy-3-hydroxydodec-7-en-2-yl]-2-hydroxydec-5-enamide?

The canonical SMILES for (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(Z,2S,3R)-12-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]oxy-3-hydroxydodec-7-en-2-yl]-2-hydroxydec-5-enamide is CCCCCCCCCC[C@H]1C[C@H]1CCCC/C=C\CCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OCc1ccccc1)NC(=O)[C@H](O)CC/C=C\CCCC[C@@H]1C[C@@H]1CCCCCCCCCC.

What is the InChIKey of (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(Z,2S,3R)-12-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]oxy-3-hydroxydodec-7-en-2-yl]-2-hydroxydec-5-enamide?

The InChIKey is GWLAGNVKZLAHER-UIHODJAZSA-N. The full InChI is InChI=1S/C61H105NO9/c1-3-5-7-9-11-14-20-29-37-49-43-51(49)39-31-22-16-13-17-24-33-41-54(64)53(47-70-61-59(58(67)57(66)56(45-63)71-61)69-46-48-35-27-26-28-36-48)62-60(68)55(65)42-34-25-19-18-23-32-40-52-44-50(52)38-30-21-15-12-10-8-6-4-2/h13,17,19,25-28,35-36,49-59,61,63-67H,3-12,14-16,18,20-24,29-34,37-47H2,1-2H3,(H,62,68)/b17-13-,25-19-/t49-,50-,51+,52+,53-,54+,55+,56+,57-,58-,59+,61+/m0/s1.

What are the key properties of (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(Z,2S,3R)-12-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]oxy-3-hydroxydodec-7-en-2-yl]-2-hydroxydec-5-enamide?

(Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(Z,2S,3R)-12-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]oxy-3-hydroxydodec-7-en-2-yl]-2-hydroxydec-5-enamide has a molecular weight of 996.51 g/mol, XLogP of 12.75, 45 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(Z,2S,3R)-12-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]oxy-3-hydroxydodec-7-en-2-yl]-2-hydroxydec-5-enamide is sourced from PubChem (CID 10796054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).