(5R)-5-[(11R)-11-hydroxy-11-[(5R)-5-[(Z,1R)-1-hydroxytetradec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one

C36H62O7 — CID 10416253

About (5R)-5-[(11R)-11-hydroxy-11-[(5R)-5-[(Z,1R)-1-hydroxytetradec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one

(5R)-5-[(11R)-11-hydroxy-11-[(5R)-5-[(Z,1R)-1-hydroxytetradec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one (PubChem CID 10416253) has the molecular formula C36H62O7 and a molecular weight of 606.89 g/mol. Its IUPAC name is (5R)-5-[(11R)-11-hydroxy-11-[(5R)-5-[(Z,1R)-1-hydroxytetradec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one.

Molecular Properties

• Compound Name: (5R)-5-[(11R)-11-hydroxy-11-[(5R)-5-[(Z,1R)-1-hydroxytetradec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one
• PubChem CID: 10416253
• Molecular Formula: C36H62O7
• Molecular Weight: 606.89 g/mol
• Exact Mass: 606.45
• IUPAC Name: (5R)-5-[(11R)-11-hydroxy-11-[(5R)-5-[(Z,1R)-1-hydroxytetradec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one
• SMILES: CCCCCCCCC/C=C\CC[C@@H](O)[C@H]1CCC([C@H](O)CCCCCC(=O)CCCC[C@@H]2CC(CC(C)=O)C(=O)O2)O1
• InChI: InChI=1S/C36H62O7/c1-3-4-5-6-7-8-9-10-11-12-15-22-32(39)34-24-25-35(43-34)33(40)23-16-13-14-19-30(38)20-17-18-21-31-27-29(26-28(2)37)36(41)42-31/h11-12,29,31-35,39-40H,3-10,13-27H2,1-2H3/b12-11-/t29?,31-,32-,33-,34-,35?/m1/s1
• InChIKey: MFMVPOLQJBZZHS-NRAHIVNPSA-N
• XLogP: 7.72
• TPSA: 110.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 26
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.89
LogP ≤ 5	7.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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 (5R)-5-[(11R)-11-hydroxy-11-[(5R)-5-[(Z,1R)-1-hydroxytetradec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one?

The IUPAC name of (5R)-5-[(11R)-11-hydroxy-11-[(5R)-5-[(Z,1R)-1-hydroxytetradec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one (CID 10416253) is (5R)-5-[(11R)-11-hydroxy-11-[(5R)-5-[(Z,1R)-1-hydroxytetradec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one.

What is the SMILES notation for (5R)-5-[(11R)-11-hydroxy-11-[(5R)-5-[(Z,1R)-1-hydroxytetradec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one?

The canonical SMILES for (5R)-5-[(11R)-11-hydroxy-11-[(5R)-5-[(Z,1R)-1-hydroxytetradec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one is CCCCCCCCC/C=C\CC[C@@H](O)[C@H]1CCC([C@H](O)CCCCCC(=O)CCCC[C@@H]2CC(CC(C)=O)C(=O)O2)O1.

What is the InChIKey of (5R)-5-[(11R)-11-hydroxy-11-[(5R)-5-[(Z,1R)-1-hydroxytetradec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one?

The InChIKey is MFMVPOLQJBZZHS-NRAHIVNPSA-N. The full InChI is InChI=1S/C36H62O7/c1-3-4-5-6-7-8-9-10-11-12-15-22-32(39)34-24-25-35(43-34)33(40)23-16-13-14-19-30(38)20-17-18-21-31-27-29(26-28(2)37)36(41)42-31/h11-12,29,31-35,39-40H,3-10,13-27H2,1-2H3/b12-11-/t29?,31-,32-,33-,34-,35?/m1/s1.

What are the key properties of (5R)-5-[(11R)-11-hydroxy-11-[(5R)-5-[(Z,1R)-1-hydroxytetradec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one?

(5R)-5-[(11R)-11-hydroxy-11-[(5R)-5-[(Z,1R)-1-hydroxytetradec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one has a molecular weight of 606.89 g/mol, XLogP of 7.72, 26 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(11R)-11-hydroxy-11-[(5R)-5-[(Z,1R)-1-hydroxytetradec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one is sourced from PubChem (CID 10416253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).