(2R)-4-[(2R)-7-[(2S,5S)-5-[(1R,4R)-1,4-dihydroxy-4-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxyheptyl]-2-methyl-2H-furan-5-one

C35H62O8 — CID 162894052

About (2R)-4-[(2R)-7-[(2S,5S)-5-[(1R,4R)-1,4-dihydroxy-4-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxyheptyl]-2-methyl-2H-furan-5-one

(2R)-4-[(2R)-7-[(2S,5S)-5-[(1R,4R)-1,4-dihydroxy-4-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxyheptyl]-2-methyl-2H-furan-5-one (PubChem CID 162894052) has the molecular formula C35H62O8 and a molecular weight of 610.87 g/mol. Its IUPAC name is (2R)-4-[(2R)-7-[(2S,5S)-5-[(1R,4R)-1,4-dihydroxy-4-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxyheptyl]-2-methyl-2H-furan-5-one.

Molecular Properties

• Compound Name: (2R)-4-[(2R)-7-[(2S,5S)-5-[(1R,4R)-1,4-dihydroxy-4-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxyheptyl]-2-methyl-2H-furan-5-one
• PubChem CID: 162894052
• Molecular Formula: C35H62O8
• Molecular Weight: 610.87 g/mol
• Exact Mass: 610.44
• IUPAC Name: (2R)-4-[(2R)-7-[(2S,5S)-5-[(1R,4R)-1,4-dihydroxy-4-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxyheptyl]-2-methyl-2H-furan-5-one
• SMILES: CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H]([C@H](O)CC[C@@H](O)[C@@H]2CC[C@H](CCCCC[C@@H](O)CC3=C[C@@H](C)OC3=O)O2)O1
• InChI: InChI=1S/C35H62O8/c1-3-4-5-6-7-8-9-13-16-29(37)33-21-22-34(43-33)31(39)19-18-30(38)32-20-17-28(42-32)15-12-10-11-14-27(36)24-26-23-25(2)41-35(26)40/h23,25,27-34,36-39H,3-22,24H2,1-2H3/t25-,27-,28+,29-,30-,31-,32+,33-,34+/m1/s1
• InChIKey: FTBUPRVFMAYNFL-LZXCIICTSA-N
• XLogP: 6.05
• TPSA: 125.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 23
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.87
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2R)-7-[(2S,5S)-5-[(1R,4R)-1,4-dihydroxy-4-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxyheptyl]-2-methyl-2H-furan-5-one?

The IUPAC name of (2R)-4-[(2R)-7-[(2S,5S)-5-[(1R,4R)-1,4-dihydroxy-4-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxyheptyl]-2-methyl-2H-furan-5-one (CID 162894052) is (2R)-4-[(2R)-7-[(2S,5S)-5-[(1R,4R)-1,4-dihydroxy-4-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxyheptyl]-2-methyl-2H-furan-5-one.

What is the SMILES notation for (2R)-4-[(2R)-7-[(2S,5S)-5-[(1R,4R)-1,4-dihydroxy-4-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxyheptyl]-2-methyl-2H-furan-5-one?

The canonical SMILES for (2R)-4-[(2R)-7-[(2S,5S)-5-[(1R,4R)-1,4-dihydroxy-4-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxyheptyl]-2-methyl-2H-furan-5-one is CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H]([C@H](O)CC[C@@H](O)[C@@H]2CC[C@H](CCCCC[C@@H](O)CC3=C[C@@H](C)OC3=O)O2)O1.

What is the InChIKey of (2R)-4-[(2R)-7-[(2S,5S)-5-[(1R,4R)-1,4-dihydroxy-4-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxyheptyl]-2-methyl-2H-furan-5-one?

The InChIKey is FTBUPRVFMAYNFL-LZXCIICTSA-N. The full InChI is InChI=1S/C35H62O8/c1-3-4-5-6-7-8-9-13-16-29(37)33-21-22-34(43-33)31(39)19-18-30(38)32-20-17-28(42-32)15-12-10-11-14-27(36)24-26-23-25(2)41-35(26)40/h23,25,27-34,36-39H,3-22,24H2,1-2H3/t25-,27-,28+,29-,30-,31-,32+,33-,34+/m1/s1.

What are the key properties of (2R)-4-[(2R)-7-[(2S,5S)-5-[(1R,4R)-1,4-dihydroxy-4-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxyheptyl]-2-methyl-2H-furan-5-one?

(2R)-4-[(2R)-7-[(2S,5S)-5-[(1R,4R)-1,4-dihydroxy-4-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxyheptyl]-2-methyl-2H-furan-5-one has a molecular weight of 610.87 g/mol, XLogP of 6.05, 23 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-[(2R)-7-[(2S,5S)-5-[(1R,4R)-1,4-dihydroxy-4-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxyheptyl]-2-methyl-2H-furan-5-one is sourced from PubChem (CID 162894052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).