(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid

C40H66O13 — CID 135023644

About (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid

(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid (PubChem CID 135023644) has the molecular formula C40H66O13 and a molecular weight of 754.96 g/mol. Its IUPAC name is (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid.

Molecular Properties

• Compound Name: (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid
• PubChem CID: 135023644
• Molecular Formula: C40H66O13
• Molecular Weight: 754.96 g/mol
• Exact Mass: 754.45
• IUPAC Name: (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid
• SMILES: C[C@H](O)C[C@@H]1CC[C@H]([C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H]([C@H](C)C(=O)O[C@@H](C)C[C@@H]3CC[C@H]([C@@H](C)C(=O)O[C@H](C)C[C@H]4CC[C@@H]([C@H](C)C(=O)O)O4)O3)O2)O1
• InChI: InChI=1S/C40H66O13/c1-21(41)17-29-9-14-34(50-29)26(6)38(44)48-23(3)19-31-11-16-36(52-31)28(8)40(46)49-24(4)20-32-12-15-35(53-32)27(7)39(45)47-22(2)18-30-10-13-33(51-30)25(5)37(42)43/h21-36,41H,9-20H2,1-8H3,(H,42,43)/t21-,22+,23+,24-,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-/m0/s1
• InChIKey: VKBYHFJTCNOKIU-FTYLOTTCSA-N
• XLogP: 5.54
• TPSA: 173.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	754.96
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid?

The IUPAC name of (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid (CID 135023644) is (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid.

What is the SMILES notation for (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid?

The canonical SMILES for (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid is C[C@H](O)C[C@@H]1CC[C@H]([C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H]([C@H](C)C(=O)O[C@@H](C)C[C@@H]3CC[C@H]([C@@H](C)C(=O)O[C@H](C)C[C@H]4CC[C@@H]([C@H](C)C(=O)O)O4)O3)O2)O1.

What is the InChIKey of (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid?

The InChIKey is VKBYHFJTCNOKIU-FTYLOTTCSA-N. The full InChI is InChI=1S/C40H66O13/c1-21(41)17-29-9-14-34(50-29)26(6)38(44)48-23(3)19-31-11-16-36(52-31)28(8)40(46)49-24(4)20-32-12-15-35(53-32)27(7)39(45)47-22(2)18-30-10-13-33(51-30)25(5)37(42)43/h21-36,41H,9-20H2,1-8H3,(H,42,43)/t21-,22+,23+,24-,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-/m0/s1.

What are the key properties of (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid?

(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid has a molecular weight of 754.96 g/mol, XLogP of 5.54, 19 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid is sourced from PubChem (CID 135023644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).