4-[(E,5S)-7-[(2R,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione

C26H37NO7 — CID 134827945

IUPAC4-[(E,5S)-7-[(2R,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione
SMILESC/C(=C\[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C/CC/C=C/[C@H](O)[C@@H](O)[C@@H]1C
InChIInChI=1S/C26H37NO7/c1-16(20(28)11-8-9-19-14-22(30)27-23(31)15-19)13-17(2)26-18(3)25(33)21(29)10-6-4-5-7-12-24(32)34-26/h6-7,10,12-13,16,18-19,21,25-26,29,33H,4-5,8-9,11,14-15H2,1-3H3,(H,27,30,31)/b10-6+,12-7+,17-13+/t16-,18-,21-,25-,26-/m0/s1
InChIKeyUBYNDTKCKXLUTH-QAUUDXSFSA-N
MW475.58 g/mol
LogP2.54
Rot. Bonds7

About 4-[(E,5S)-7-[(2R,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione

4-[(E,5S)-7-[(2R,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione (PubChem CID 134827945) has the molecular formula C26H37NO7 and a molecular weight of 475.58 g/mol. Its IUPAC name is 4-[(E,5S)-7-[(2R,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-[(E,5S)-7-[(2R,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione
PubChem CID134827945
Molecular FormulaC26H37NO7
Molecular Weight475.58 g/mol
Exact Mass475.26
IUPAC Name4-[(E,5S)-7-[(2R,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione
SMILESC/C(=C\[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C/CC/C=C/[C@H](O)[C@@H](O)[C@@H]1C
InChIInChI=1S/C26H37NO7/c1-16(20(28)11-8-9-19-14-22(30)27-23(31)15-19)13-17(2)26-18(3)25(33)21(29)10-6-4-5-7-12-24(32)34-26/h6-7,10,12-13,16,18-19,21,25-26,29,33H,4-5,8-9,11,14-15H2,1-3H3,(H,27,30,31)/b10-6+,12-7+,17-13+/t16-,18-,21-,25-,26-/m0/s1
InChIKeyUBYNDTKCKXLUTH-QAUUDXSFSA-N
XLogP2.54
TPSA130.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[(E,5S)-7-[(2R,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E,5S)-7-[(2R,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione?
The IUPAC name of 4-[(E,5S)-7-[(2R,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione (CID 134827945) is 4-[(E,5S)-7-[(2R,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione.
What is the SMILES notation for 4-[(E,5S)-7-[(2R,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione?
The canonical SMILES for 4-[(E,5S)-7-[(2R,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione is C/C(=C\[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C/CC/C=C/[C@H](O)[C@@H](O)[C@@H]1C.
What is the InChIKey of 4-[(E,5S)-7-[(2R,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione?
The InChIKey is UBYNDTKCKXLUTH-QAUUDXSFSA-N. The full InChI is InChI=1S/C26H37NO7/c1-16(20(28)11-8-9-19-14-22(30)27-23(31)15-19)13-17(2)26-18(3)25(33)21(29)10-6-4-5-7-12-24(32)34-26/h6-7,10,12-13,16,18-19,21,25-26,29,33H,4-5,8-9,11,14-15H2,1-3H3,(H,27,30,31)/b10-6+,12-7+,17-13+/t16-,18-,21-,25-,26-/m0/s1.
What are the key properties of 4-[(E,5S)-7-[(2R,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione?
4-[(E,5S)-7-[(2R,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione has a molecular weight of 475.58 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E,5S)-7-[(2R,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione is sourced from PubChem (CID 134827945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).