(2S,3R,6S,9R,10S)-3,10-dihydroxy-2,9-dimethyl-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-6-phenylmethoxydodec-11-ene-1,8-dione

C30H37NO7 — CID 59051921

About (2S,3R,6S,9R,10S)-3,10-dihydroxy-2,9-dimethyl-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-6-phenylmethoxydodec-11-ene-1,8-dione

(2S,3R,6S,9R,10S)-3,10-dihydroxy-2,9-dimethyl-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-6-phenylmethoxydodec-11-ene-1,8-dione (PubChem CID 59051921) has the molecular formula C30H37NO7 and a molecular weight of 523.63 g/mol. Its IUPAC name is (2S,3R,6S,9R,10S)-3,10-dihydroxy-2,9-dimethyl-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-6-phenylmethoxydodec-11-ene-1,8-dione.

Molecular Properties

• Compound Name: (2S,3R,6S,9R,10S)-3,10-dihydroxy-2,9-dimethyl-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-6-phenylmethoxydodec-11-ene-1,8-dione
• PubChem CID: 59051921
• Molecular Formula: C30H37NO7
• Molecular Weight: 523.63 g/mol
• Exact Mass: 523.26
• IUPAC Name: (2S,3R,6S,9R,10S)-3,10-dihydroxy-2,9-dimethyl-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-6-phenylmethoxydodec-11-ene-1,8-dione
• SMILES: C=C[C@H](O)[C@@H](C)C(=O)C[C@H](CC[C@@H](O)[C@H](C)C(=O)N1C(=O)OC[C@@H]1c1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C30H37NO7/c1-4-26(32)20(2)28(34)17-24(37-18-22-11-7-5-8-12-22)15-16-27(33)21(3)29(35)31-25(19-38-30(31)36)23-13-9-6-10-14-23/h4-14,20-21,24-27,32-33H,1,15-19H2,2-3H3/t20-,21+,24+,25-,26+,27-/m1/s1
• InChIKey: LNEKRWKGXKJZEP-AVPDIACOSA-N
• XLogP: 4.21
• TPSA: 113.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.63
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6S,9R,10S)-3,10-dihydroxy-2,9-dimethyl-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-6-phenylmethoxydodec-11-ene-1,8-dione?

The IUPAC name of (2S,3R,6S,9R,10S)-3,10-dihydroxy-2,9-dimethyl-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-6-phenylmethoxydodec-11-ene-1,8-dione (CID 59051921) is (2S,3R,6S,9R,10S)-3,10-dihydroxy-2,9-dimethyl-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-6-phenylmethoxydodec-11-ene-1,8-dione.

What is the SMILES notation for (2S,3R,6S,9R,10S)-3,10-dihydroxy-2,9-dimethyl-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-6-phenylmethoxydodec-11-ene-1,8-dione?

The canonical SMILES for (2S,3R,6S,9R,10S)-3,10-dihydroxy-2,9-dimethyl-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-6-phenylmethoxydodec-11-ene-1,8-dione is C=C[C@H](O)[C@@H](C)C(=O)C[C@H](CC[C@@H](O)[C@H](C)C(=O)N1C(=O)OC[C@@H]1c1ccccc1)OCc1ccccc1.

What is the InChIKey of (2S,3R,6S,9R,10S)-3,10-dihydroxy-2,9-dimethyl-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-6-phenylmethoxydodec-11-ene-1,8-dione?

The InChIKey is LNEKRWKGXKJZEP-AVPDIACOSA-N. The full InChI is InChI=1S/C30H37NO7/c1-4-26(32)20(2)28(34)17-24(37-18-22-11-7-5-8-12-22)15-16-27(33)21(3)29(35)31-25(19-38-30(31)36)23-13-9-6-10-14-23/h4-14,20-21,24-27,32-33H,1,15-19H2,2-3H3/t20-,21+,24+,25-,26+,27-/m1/s1.

What are the key properties of (2S,3R,6S,9R,10S)-3,10-dihydroxy-2,9-dimethyl-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-6-phenylmethoxydodec-11-ene-1,8-dione?

(2S,3R,6S,9R,10S)-3,10-dihydroxy-2,9-dimethyl-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-6-phenylmethoxydodec-11-ene-1,8-dione has a molecular weight of 523.63 g/mol, XLogP of 4.21, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,6S,9R,10S)-3,10-dihydroxy-2,9-dimethyl-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-6-phenylmethoxydodec-11-ene-1,8-dione is sourced from PubChem (CID 59051921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).