methyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate

C29H44O7 — CID 11620367

About methyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate

methyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate (PubChem CID 11620367) has the molecular formula C29H44O7 and a molecular weight of 504.66 g/mol. Its IUPAC name is methyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate.

Molecular Properties

• Compound Name: methyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate
• PubChem CID: 11620367
• Molecular Formula: C29H44O7
• Molecular Weight: 504.66 g/mol
• Exact Mass: 504.31
• IUPAC Name: methyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate
• SMILES: CC[C@H](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)OC)O2)O1)OCc1ccccc1
• InChI: InChI=1S/C29H44O7/c1-6-23(33-18-22-10-8-7-9-11-22)17-25-13-15-27(36-25)21(4)29(31)34-19(2)16-24-12-14-26(35-24)20(3)28(30)32-5/h7-11,19-21,23-27H,6,12-18H2,1-5H3/t19-,20+,21+,23-,24-,25-,26+,27+/m1/s1
• InChIKey: APBTVLRKJYTNNM-RTUNNXCISA-N
• XLogP: 5.23
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.66
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate?

The IUPAC name of methyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate (CID 11620367) is methyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate.

What is the SMILES notation for methyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate?

The canonical SMILES for methyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate is CC[C@H](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)OC)O2)O1)OCc1ccccc1.

What is the InChIKey of methyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate?

The InChIKey is APBTVLRKJYTNNM-RTUNNXCISA-N. The full InChI is InChI=1S/C29H44O7/c1-6-23(33-18-22-10-8-7-9-11-22)17-25-13-15-27(36-25)21(4)29(31)34-19(2)16-24-12-14-26(35-24)20(3)28(30)32-5/h7-11,19-21,23-27H,6,12-18H2,1-5H3/t19-,20+,21+,23-,24-,25-,26+,27+/m1/s1.

What are the key properties of methyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate?

methyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate has a molecular weight of 504.66 g/mol, XLogP of 5.23, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate is sourced from PubChem (CID 11620367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).